![C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-enye, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-enye, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI) Umfanekiso obonakalayo](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo.jpg)
C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-enye, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI)
| IiPropati zoMzimba eziPhambili | Ixabiso | Imeko |
| Ubunzima beMolekyuli | 528.55 | - |
| Indawo yokunyibilika (yoMfuniselo) | 129.5-130 °C | - |
| Indawo yokuBila (Kuqikelelwe) | 688.2±65.0 °C | Cinezela: 760 Torr |
| Ukuxinana (Kuqikelelwe) | 1.35±0.1 g/cm3 | Ubushushu: 20 °C;Cinezela: 760 Torr |
| pKa (Kuxelwe kwangaphambili) | 12.51±0.40 | Eyona Temp iAcidic Temp: 25 °C |
Uncumo lweCanonical O=C1N=C2OC3C(O)C(OC3N2C=C1)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6
Isomeric Uncumo C(OC[C@H]1O[C@]2([C@]([C@@H]1O)(OC=3N2C=CC(=O)N3)[H])[H] )(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
InChi
InChI=1S/C30H28N2O7/c1-35-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(36-) 2)15-11-21)37-18-24-26(34)27-28(38-24)32-17- 16-25(33)31-29(32)39-27/h3-17, 24,26-28,34H,18H2,1-2H3/t24-,26-,27+,28-/m1/s1
Isitshixo se-InchI
OEIRLWHCGAICDW-AOGFTHLWSA-N
2 Amanye Amagama ale nto
(2R,3R,3aS,9aR)-2-[[Bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-6H-furo[2′,3′:4 ,5]oxazolo[3,2-a] pyrimidin-6-enye (ACI);6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-enye, 2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3,3a,9a -
tetrahydro-3-hydroxy-, [2R-(2α,3β,3aβ,9aβ)]- (ZCI)
| Iipropati ezikhoyo |
| Thermal |
Thermal
| Ipropati | Ixabiso | Imeko | Umthombo |
| Indawo yokunyibilika | 129.5-130 °C | (1) I-CAS | |
(1) eSzlenkier, eMaurycy;Nucleosides, Nucleotides & Nucleic Acids, (2016), 35 (8), 410-425, CAplus
| ISpectra ekhoyo |
| 1H NMR |
| 13C NMR |
| IR |
| IMisa |
Iipropati eziqikelelweyo
| Iipropati ezikhoyo |
| Ibhayoloji |
| Ikhemikhali |
| Ukuxinana |
| Lipinski |
| Ulwakhiwo oluNxulumeneyo |
| Thermal |
Ibhayoloji
| Ipropati | Ixabiso | Imeko | Umthombo |
| I-Bioconcentration Factor | 1360 | pH 1;Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1360 | pH 2;Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1360 | pH 3;Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1360 | pH 4;Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1360 | pH 5;Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1360 | pH 6;Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1360 | pH 7;Ubushushu: 25 °C | (1) ACD |
| Ipropati | Ixabiso | Imeko | Umthombo |
| I-Bioconcentration Factor | 1360 | pH 8;Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1360 | pH 9;Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1350 | pH 10;Ubushushu: 25 °C | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Ikhemikhali
| Ipropati | Ixabiso | Imeko | Umthombo |
| Koc | 6080 | pH 1;Ubushushu: 25 °C | (1) ACD |
| Koc | 6080 | pH 2;Ubushushu: 25 °C | (1) ACD |
| Koc | 6080 | pH 3;Ubushushu: 25 °C | (1) ACD |
| Koc | 6080 | pH 4;Ubushushu: 25 °C | (1) ACD |
| Koc | 6080 | pH 5;Ubushushu: 25 °C | (1) ACD |
| Koc | 6080 | pH 6;Ubushushu: 25 °C | (1) ACD |
| Koc | 6080 | pH 7;Ubushushu: 25 °C | (1) ACD |
| Koc | 6080 | pH 8;Ubushushu: 25 °C | (1) ACD |
| Koc | 6070 | pH 9;Ubushushu: 25 °C | (1) ACD |
| Koc | 6060 | pH 10;Ubushushu: 25 °C | (1) ACD |
| logD | 4.42 | pH 1;Ubushushu: 25 °C | (1) ACD |
| logD | 4.42 | pH 2;Ubushushu: 25 °C | (1) ACD |
| logD | 4.42 | pH 3;Ubushushu: 25 °C | (1) ACD |
| logD | 4.42 | pH 4;Ubushushu: 25 °C | (1) ACD |
| logD | 4.42 | pH 5;Ubushushu: 25 °C | (1) ACD |
| logD | 4.42 | pH 6;Ubushushu: 25 °C | (1) ACD |
| logD | 4.42 | pH 7;Ubushushu: 25 °C | (1) ACD |
| logD | 4.42 | pH 8;Ubushushu: 25 °C | (1) ACD |
| logD | 4.42 | pH 9;Ubushushu: 25 °C | (1) ACD |
| logD | 4.42 | pH 10;Ubushushu: 25 °C | (1) ACD |
| logP | 4.424±0.618 | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMass Intrinsic | 5.8 x 10-4 g/L | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 5.8 x 10-4 g/L | pH 1;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 5.8 x 10-4 g/L | pH 2;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 5.8 x 10-4 g/L | pH 3;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 5.8 x 10-4 g/L | pH 4;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 5.8 x 10-4 g/L | pH 5;Ubushushu: 25 °C | (1) ACD |
| Ipropati | Ixabiso | Imeko | Umthombo |
| Ukunyibilika kobuninzi | 5.8 x 10-4 g/L | pH 6;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 5.8 x 10-4 g/L | pH 7;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 5.8 x 10-4 g/L | pH 8;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 5.8 x 10-4 g/L | pH 9;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 5.8 x 10-4 g/L | pH 10;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 5.8 x 10-4 g/L | Amanzi angaphazanyiswanga pH 7.00;Ubushushu: 25 °C | (1) ACD |
| I-Molar Intrinsic Solubility | 1.1 x 10-6 mol/L | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.1 x 10-6 mol/L | pH 1;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.1 x 10-6 mol/L | pH 2;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.1 x 10-6 mol/L | pH 3;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.1 x 10-6 mol/L | pH 4;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.1 x 10-6 mol/L | pH 5;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.1 x 10-6 mol/L | pH 6;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.1 x 10-6 mol/L | pH 7;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.1 x 10-6 mol/L | pH 8;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.1 x 10-6 mol/L | pH 9;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.1 x 10-6 mol/L | pH 10;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.1 x 10-6 mol/L | Amanzi angaphazanyiswanga pH 7.00;Ubushushu: 25 °C | (1) ACD |
| Ubunzima beMolekyuli | 528.55 | ||
| pKa | 12.51±0.40 | Eyona Temp iAcidic Temp: 25 °C | (1) ACD |
| pKa | -4.70±0.60 | Eyona Tempile iSiseko: 25 °C | (1) ACD |
| Uxinzelelo lomphunga | 6.91 x 10-20 Torr | Ubushushu: 25 °C | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Ukuxinana
| Ipropati | Ixabiso | Imeko | Umthombo |
| Ukuxinana | 1.35±0.1 g/cm3 | Ubushushu: 20 °C;Cinezela: 760 Torr | (1) ACD |
| Umthamo weMolar | 389.8±7.0 cm3/mol | Ubushushu: 20 °C;Cinezela: 760 Torr | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Ipropati | Ixabiso | Imeko | Umthombo |
| Iibhondi eziGuquguqukayo ngokukhululekileyo | 9 | (1) ACD | |
| Ipropati | Ixabiso | Imeko | Umthombo |
| H Abamkeli | 9 | (1) ACD | |
| H Abaxhasi | 1 | (1) ACD | |
| H Umnikeli/uMamkeli Isambuku | 10 | (1) ACD | |
| logP | 4.424±0.618 | Ubushushu: 25 °C | (1) ACD |
| Ubunzima beMolekyuli | 528.55 |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Ulwakhiwo oluNxulumeneyo
| Ipropati | Ixabiso | Imeko | Umthombo |
| Indawo yePolar Surface | 99.1 A2 | (1) ACD | |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Thermal
| Ipropati | Ixabiso | Imeko | Umthombo |
| Indawo yokubilisa | 688.2±65.0 °C | Cinezela: 760 Torr | (1) ACD |
| I-Enthalpy yoMphunga | 105.96±3.0 kJ/mol | Cinezela: 760 Torr | (1) ACD |
| Indawo yokuflasha | 370.0±34.3 °C | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
ISpectra ekhoyo
1H NMR
13C NMR
![C21H23N3O5 L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy) carbonyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C21H23N3O5-L-Ornithine-300x300.jpg)
![118 Re36H44N2O8Si Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimethylethyl)dimethylsilyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/118-Re36H44N2O8Si-Uridine-300x300.jpg)
![C42H52N5O9P Cytidine, N-acetyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] ( ACI)](https://cdn.globalso.com/nvchem/C42H52N5O9P-Cytidine-300x300.png)
![C17H19N3O6 Thymidine, α -oxo- α - [(phenylmethyl) amino]- (ACI)](https://cdn.globalso.com/nvchem/C17H19N3O6-Thymidine-300x300.png)
![C41H51N5O8Si Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimethylethyl)dimethylsilyl]-N-(2-methyl-1-oxopropyl)- (9CI, ACI )](https://cdn.globalso.com/nvchem/C41H51N5O8Si-Guanosine-300x300.jpg)