C20H21NO4 1-Pyrrolidinecarboxylic acid, 4-hydroxy-2- (hydroxymethyl)-, 9H- fluoren-9-ylmethyl ester, (2S,4R)- (9CI, ACI)
| IiPropati zoMzimba eziPhambili | Ixabiso | Imeko |
| Ubunzima beMolekyuli | 339.39 | - |
| Indawo yokuBila (Kuqikelelwe) | 549.8±40.0 °C | Cinezela: 760 Torr |
| Ukuxinana (Kuqikelelwe) | 1.318±0.06 g/cm3 | Ubushushu: 20 °C;Cinezela: 760 Torr |
| pKa (Kuxelwe kwangaphambili) | 14.53±0.40 | Eyona Temp iAcidic Temp: 25 °C |
Uncumo lweCanonical O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)N4CC(O)CC4CO
Isomeric Uncumo C(OC(=O)N1[C@H](CO)C[C@@H](O)C1)C2C=3C(C=4C2=CC=CC4)=CC=CC3
InChi
InChI=1S/C20H21NO4/c22-11-13-9-14(23)10-21(13)20(24)25-12-19-17-7-3-1-5-15(17)16- 6-2-4-8-18(16)19/h1-8,13-14,19,22-23H,9-12
H2/t13-,14+/m0/s1
Isitshixo se-InchI
SCXXARDQPGZAJU-UONOGXRCSA-N
3 Amanye Amagama ale nto
I-1-Pyrrolidinecarboxylic acid, i-4-hydroxy-2- (hydroxymethyl)-, 9H-fluoren-9-ylmethyl ester, (2S-trans)- (ZCI);I-9H-Fluoren-9-ylmethyl (2S, 4R) -4-hydroxy-2- (hydroxymethyl) -1-pyrrolidinecarboxylate (ACI);(3R,5S)-N-Fmoc-3-Hydroxypyrrolidine-5-Methanol
| Iipropati ezikhoyo |
| Ibhayoloji |
| Ikhemikhali |
| Ukuxinana |
| Lipinski |
| Ulwakhiwo oluNxulumeneyo |
| Thermal |
Ibhayoloji
| Ipropati | Ixabiso | Imeko | Umthombo |
| I-Bioconcentration Factor | 49.6 | pH 1;Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 49.6 | pH 2;Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 49.6 | pH 3;Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 49.6 | pH 4;Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 49.6 | pH 5;Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 49.6 | pH 6;Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 49.6 | pH 7;Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 49.6 | pH 8;Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 49.6 | pH 9;Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 49.6 | 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 | 569 | pH 1;Ubushushu: 25 °C | (1) ACD |
| Koc | 569 | pH 2;Ubushushu: 25 °C | (1) ACD |
| Koc | 569 | pH 3;Ubushushu: 25 °C | (1) ACD |
| Koc | 569 | pH 4;Ubushushu: 25 °C | (1) ACD |
| Koc | 569 | pH 5;Ubushushu: 25 °C | (1) ACD |
| Koc | 569 | pH 6;Ubushushu: 25 °C | (1) ACD |
| Koc | 569 | pH 7;Ubushushu: 25 °C | (1) ACD |
| Koc | 569 | pH 8;Ubushushu: 25 °C | (1) ACD |
| Koc | 569 | pH 9;Ubushushu: 25 °C | (1) ACD |
| Koc | 569 | pH 10;Ubushushu: 25 °C | (1) ACD |
| Ipropati | Ixabiso | Imeko | Umthombo |
| logD | 2.53 | pH 1;Ubushushu: 25 °C | (1) ACD |
| logD | 2.53 | pH 2;Ubushushu: 25 °C | (1) ACD |
| logD | 2.53 | pH 3;Ubushushu: 25 °C | (1) ACD |
| logD | 2.53 | pH 4;Ubushushu: 25 °C | (1) ACD |
| logD | 2.53 | pH 5;Ubushushu: 25 °C | (1) ACD |
| logD | 2.53 | pH 6;Ubushushu: 25 °C | (1) ACD |
| logD | 2.53 | pH 7;Ubushushu: 25 °C | (1) ACD |
| logD | 2.53 | pH 8;Ubushushu: 25 °C | (1) ACD |
| logD | 2.53 | pH 9;Ubushushu: 25 °C | (1) ACD |
| logD | 2.53 | pH 10;Ubushushu: 25 °C | (1) ACD |
| logP | 2.534±0.636 | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMass Intrinsic | 0.078 g/L | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 0.078 g/L | pH 1;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 0.078 g/L | pH 2;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 0.078 g/L | pH 3;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 0.078 g/L | pH 4;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 0.078 g/L | pH 5;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 0.078 g/L | pH 6;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 0.078 g/L | pH 7;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 0.078 g/L | pH 8;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 0.078 g/L | pH 9;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 0.078 g/L | pH 10;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 0.078 g/L | Amanzi angaphazanyiswanga pH 7.00;Ubushushu: 25 °C | (1) ACD |
| I-Molar Intrinsic Solubility | 2.3 x 10-4 mol/L | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 2.3 x 10-4 mol/L | pH 1;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 2.3 x 10-4 mol/L | pH 2;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 2.3 x 10-4 mol/L | pH 3;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 2.3 x 10-4 mol/L | pH 4;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 2.3 x 10-4 mol/L | pH 5;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 2.3 x 10-4 mol/L | pH 6;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 2.3 x 10-4 mol/L | pH 7;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 2.3 x 10-4 mol/L | pH 8;Ubushushu: 25 °C | (1) ACD |
| Ipropati | Ixabiso | Imeko | Umthombo |
| Ukunyibilika kweMolar | 2.3 x 10-4 mol/L | pH 9;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 2.3 x 10-4 mol/L | pH 10;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 2.3 x 10-4 mol/L | Amanzi angaphazanyiswanga pH 7.00;Ubushushu: 25 °C | (1) ACD |
| Ubunzima beMolekyuli | 339.39 | ||
| pKa | 14.53±0.40 | Eyona Temp iAcidic Temp: 25 °C | (1) ACD |
| pKa | -3.10±0.60 | Eyona Tempile iSiseko: 25 °C | (1) ACD |
| Uxinzelelo lomphunga | 6.35 x 10-13 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 | 1.318±0.06 g/cm3 | Ubushushu: 20 °C;Cinezela: 760 Torr | (1) ACD |
| Umthamo weMolar | 257.3±3.0 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 | 6 | (1) ACD | |
| H Abamkeli | 5 | (1) ACD | |
| H Abaxhasi | 2 | (1) ACD | |
| H Umnikeli/uMamkeli Isambuku | 7 | (1) ACD | |
| logP | 2.534±0.636 | Ubushushu: 25 °C | (1) ACD |
| Ubunzima beMolekyuli | 339.39 |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Ulwakhiwo oluNxulumeneyo
| Ipropati | Ixabiso | Imeko | Umthombo |
| Indawo yePolar Surface | 70.0 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 | 549.8±40.0 °C | Cinezela: 760 Torr | (1) ACD |
| I-Enthalpy yoMphunga | 87.32±3.0 kJ/mol | Cinezela: 760 Torr | (1) ACD |
| Indawo yokuflasha | 286.3±27.3 °C | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
ISpectra ekhoyo
1H NMR
13C NMR
![C31H30N2O7 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-7- methyl-, (2R,3R,3aS,9aR)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C31H30N2O7-6H-Furo-300x300.jpg)
![C44H49N5O7Si Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′- O-[(1,1-dimethylethyl)dimethylsilyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C44H49N5O7Si-Adenosine-300x300.jpg)
![C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) phosphoramidite] (ACI)](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine-300x300.png)
![L-Ornithinamide, L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl) phenyl]- (9CI, ACI) H335, H319, H315, H302](https://cdn.globalso.com/nvchem/L-Ornithinamide-300x300.jpg)
![C20H31NO5 Heptanoic acid, 3- hydroxy-5-methyl-4-[[(phenylmethoxy)carbonyl] amino]-, 1,1-dimethylethyl ester, [3R-(3R*,4S*,5S*)]- (9CI) H301](https://cdn.globalso.com/nvchem/C20H31NO5-Heptanoic-acid-300x300.jpg)
![C21H21N3O6 Thymidine, α – [(1-naphthalenylmethyl) amino]- α -oxo- (ACI)](https://cdn.globalso.com/nvchem/C21H21N3O6-Thymidine-300x300.png)