C34H39N3O8 Cytidine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methox yethyl)-5-methyl- (9CI, ACI)

imveliso

C34H39N3O8 Cytidine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methox yethyl)-5-methyl- (9CI, ACI)

Ulwazi olusisiseko:


Iinkcukacha zeMveliso

Iithegi zeMveliso

Iimpawu ezibonakalayo

IiPropati zoMzimba eziPhambili Ixabiso Imeko
Ubunzima beMolekyuli 617.69 -
Indawo yokuBila (Kuqikelelwe) 762.6±70.0 °C Cinezela: 760 Torr
Ukuxinana (Kuqikelelwe) 1.27±0.1 g/cm3 Ubushushu: 20 °C;Cinezela: 760 Torr
pKa (Kuxelwe kwangaphambili) 13.31±0.70 Eyona Temp iAcidic Temp: 25 °C

Amanye Amagama kunye neZazi

Uncumo lweCanonical O=C1N=C(N)C(=CN1C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5) C(O)C2OCCOC)C
Isomeric Uncumo C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C(=O)N=C(N)C(C)=C2 )(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
InChi
InChI=1S/C34H39N3O8/c1-22-20-37(33(39)36-31(22)35)32-30(43-19-18-40-2)29(38)28(45-32) 21-44-34(23-8-6-5-7-9-23,24-10-14-26(4 1-3)15-11-24)25-12-16-27(42-4) )17-13-25/h5-17,20,28-30,32,38H,18-19,21H2,1-4H3,(H2,35,36,39)/t28-,29-,30-, 32-/m1/s1
Isitshixo se-InchI
LYKTVJJXZQTNPK-PBAMLIMUSA-N
24 Amanye Amagama ale Nxibelelwano
5′-O-[Bis (4-methoxyphenyl) phenylmethyl]-2′-O-(2-methoxyethyl)-5-methylcytidine (ACI);11: PN: US20030170636 IPHEPHA: I-17 ibango le-RNA;12: PN: US20030211606 IPHEPHA: I-18 ibango i-R NA;12: PN: US20030212017 IPHEPHA: I-19 ibango i-R NA;14: PN: US20040005569 IPHEPHA E: 21 ibango le-R NA;15: PN: US20040005565 IPHEPHA: 17- 22 ibango le-RNA;15: PN: US20040005570 IPHEPHA: I-19 ibango i-R NA;15: PN: U S20040006030 IPHEPHA: 22 ibango i-R NA;15: PN: US20040014048 IPHEPHA: I-19 ibango i-R NA;16: PN: US20030171313 IPHEPHA: Abali-9 ababanga iRNA;16: PN: US20030198965 IPHEPHA: I-19 ibango i-R NA;16: PN: US20040014047 IPHEPHA: I-19 ibango i-R NA;16: PN: US20040014049 IPHEPHA:

I-19 ibango i-RNA;17: PN: US20040014051 IPHEPHA: 21 ibango i-R NA;17: PN: US20040014699 IPHEPHA: I-19 ibango i-R NA;17: PN: W
O03106645 IPHEPHA: 69 ibango i-R NA;18: PN: US20040006029 IPHEPHA: 22 ibango i-R NA;I-2'-O-Methoxyethyl-5'-O-dimethoxytrityl-5- methylcytidine;58: PN: US20030166592 IPHEPHA: I-15 ibango i-R NA;5: PN: WO2005006958 IPHEPHA: 61 ibango i-R NA;7: PN: WO20050 07825 IPHEPHA: 61 ibango i-R NA;82: PN: US20040171566 IPHEPHA: I-18 ibango i-R NA;89: PN: US20040005707 IPHEPHA: I-19 ibango i-R NA;9: PN: WO03084478 IPHEPHA: 56 ibango i-R NA

Iipropati eziqikelelweyo

Iipropati ezikhoyo
Ibhayoloji
Ikhemikhali
Ukuxinana
Lipinski
Ulwakhiwo oluNxulumeneyo
Thermal

Ibhayoloji

Ipropati Ixabiso Imeko Umthombo
I-Bioconcentration Factor 1.56 pH 1;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.99 pH 2;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 6.19 pH 3;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 38.0 pH 4;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 116 pH 5;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 146 pH 6;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 150 pH 7;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 151 pH 8;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 151 pH 9;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 151 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 13.0 pH 1;Ubushushu: 25 °C (1) ACD
Koc 16.6 pH 2;Ubushushu: 25 °C (1) ACD
Koc 51.8 pH 3;Ubushushu: 25 °C (1) ACD
Koc 318 pH 4;Ubushushu: 25 °C (1) ACD
Koc 966 pH 5;Ubushushu: 25 °C (1) ACD
Koc 1220 pH 6;Ubushushu: 25 °C (1) ACD
Koc 1260 pH 7;Ubushushu: 25 °C (1) ACD

 

Ipropati Ixabiso Imeko Umthombo
Koc 1260 pH 8;Ubushushu: 25 °C (1) ACD
Koc 1260 pH 9;Ubushushu: 25 °C (1) ACD
Koc 1260 pH 10;Ubushushu: 25 °C (1) ACD
logD 1.18 pH 1;Ubushushu: 25 °C (1) ACD
logD 1.29 pH 2;Ubushushu: 25 °C (1) ACD
logD 1.78 pH 3;Ubushushu: 25 °C (1) ACD
logD 2.57 pH 4;Ubushushu: 25 °C (1) ACD
logD 3.05 pH 5;Ubushushu: 25 °C (1) ACD
logD 3.16 pH 6;Ubushushu: 25 °C (1) ACD
logD 3.17 pH 7;Ubushushu: 25 °C (1) ACD
logD 3.17 pH 8;Ubushushu: 25 °C (1) ACD
logD 3.17 pH 9;Ubushushu: 25 °C (1) ACD
logD 3.17 pH 10;Ubushushu: 25 °C (1) ACD
logP 3.169±0.598 Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMass Intrinsic 5.2 x 10-3 g/L Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 0.51 g/L pH 1;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 0.40 g/L pH 2;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 0.13 g/L pH 3;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 0.020 g/L pH 4;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 6.8 x 10-3 g/L pH 5;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 5.4 x 10-3 g/L pH 6;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 5.3 x 10-3 g/L pH 7;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 5.2 x 10-3 g/L pH 8;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 5.2 x 10-3 g/L pH 9;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 5.2 x 10-3 g/L pH 10;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 5.3 x 10-3 g/L Amanzi angaphazanyiswanga pH 7.05;Ubushushu: 25 °C (1) ACD
I-Molar Intrinsic Solubility 8.4 x 10-6 mol/L Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 8.2 x 10-4 mol/L pH 1;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 6.4 x 10-4 mol/L pH 2;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 2.1 x 10-4 mol/L pH 3;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 3.3 x 10-5 mol/L pH 4;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 1.1 x 10-5 mol/L pH 5;Ubushushu: 25 °C (1) ACD

 

Ipropati Ixabiso Imeko Umthombo
Ukunyibilika kweMolar 8.7 x 10-6 mol/L pH 6;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 8.5 x 10-6 mol / L pH 7;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 8.4 x 10-6 mol/L pH 8;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 8.4 x 10-6 mol/L pH 9;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 8.4 x 10-6 mol/L pH 10;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 8.5 x 10-6 mol / L Amanzi angaphazanyiswanga pH 7.05;Ubushushu: 25 °C (1) ACD
Ubunzima beMolekyuli 617.69    
pKa 13.31±0.70 Eyona Temp iAcidic Temp: 25 °C (1) ACD
pKa 4.58±0.10 Eyona Tempile iSiseko: 25 °C (1) ACD
Uxinzelelo lomphunga 1.89 x 10-24 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 1.27±0.1 g/cm3 Ubushushu: 20 °C;Cinezela: 760 Torr (1) ACD
Umthamo weMolar 483.8±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 14   (1) ACD
H Abamkeli 11   (1) ACD
H Abaxhasi 3   (1) ACD
H Umnikeli/uMamkeli Isambuku 14   (1) ACD
logP 3.169±0.598 Ubushushu: 25 °C (1) ACD
Ubunzima beMolekyuli 617.69    

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

Ulwakhiwo oluNxulumeneyo

Ipropati Ixabiso

Imeko

Umthombo
Indawo yePolar Surface 134 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 762.6±70.0 °C Cinezela: 760 Torr (1) ACD
I-Enthalpy yoMphunga 116.53±3.0 kJ/mol Cinezela: 760 Torr (1) ACD
Indawo yokuflasha 415.0±35.7 °C   (1) ACD

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

ISpectra eqikelelweyo

ISpectra ekhoyo
1H NMR
13C NMR


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