![C42H52N5O9P Cytidine, N-acetyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] ( I-ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C42H52N5O9P Cytidine, N-acetyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] ( ACI) Isithombe Esifakiwe](https://www.csnvchem.com/uploads/C42H52N5O9P-Cytidine.png)
C42H52N5O9P Cytidine, N-acetyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] ( I-ACI)
Inombolo Yokubhalisa ye-CAS
199593-09-4
| Izici Zomzimba Eziyinhloko | Inani | Isimo |
| Isisindo samangqamuzana | 801.87 | - |
| pKa (Kubikezelwe) | 10.18±0.20 | Izinga Le-Acidic Elikhulu: 25 °C |
I-Canonical SMILES
N#CCCOP(OC1C(OC(N2C=CC(= NC2=O)NC(=O)C)C1OC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5 =CC=C(OC)C=C5)N(C(C)C)C(C)C
I-Isomeric SMILES
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OC)[C@@ H](O1)N2C(=O)N=C(NC(C)=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC =C(OC)C=C4 )C5=CC=CC=C5
I-InChI
I-InChI= 1S/C42H52N5O9P/c1-28(2)47(29(3)4)57(54-26-12-24-43)56-38-36(55-40(39(38)52-8) 46-25-23-37(44-30(5)48)45-41(46)49)27-53 -42(31-13-10-9-11-14-31,32-15-19- 34(50-6)20-16-32)33-17-21-35(51-7)22-18-33/h9-11,13-23,25,28-29,36,38-40H, 12,26-27H2,1-8H3,( H,44,45,48,49)/t36-,38-,39-,40-,57?/m1/s1
Ukhiye we-InchI
WNWUMIPFLOKTEZ-UAQIPLLRSA-N
1 Elinye Igama lale nto
I-Cytidine,NI-acetyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ - [2-cyanoethyl bis(1-methylethyl)phosphoramidite] (9CI)
Izakhiwo ezitholakalayo
I-Biological
Amakhemikhali
I-Lipinski
Okuhlobene Nesakhiwo
| Impahla | Inani | Isimo | Umthombo |
| I-Bioconcentration Factor | 4.77 | i-pH 1;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 50.1 | pH 2;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 2190 | i-pH 3;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 21700 | i-pH 4;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 35700 | pH 5;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 37800 | pH 6;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 37900 | pH 7;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 37300 | pH 8;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 31400 | pH 9;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 12300 | pH 10;Izinga lokushisa: 25 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Umthombo Wesimo Sendawo Yenani |
| I-Koc 8.29 pH 1;Izinga lokushisa: 25 °C (1) ACD |
| I-Koc 87.1 pH 2;Izinga lokushisa: 25 °C (1) ACD |
| I-Koc 3800 pH 3;Izinga lokushisa: 25 °C (1) ACD |
| I-Koc 37700 pH 4;Izinga lokushisa: 25 °C (1) ACD |
| I-Koc 62000 pH 5;Izinga lokushisa: 25 °C (1) ACD |
| I-Koc 65700 pH 6;Izinga lokushisa: 25 °C (1) ACD |
| I-Koc 65900 pH 7;Izinga lokushisa: 25 °C (1) ACD |
| I-Koc 64700 pH 8;Izinga lokushisa: 25 °C (1) ACD |
| I-Koc 54500 pH 9;Izinga lokushisa: 25 °C (1) ACD |
| I-Koc 21400 pH 10;Izinga lokushisa: 25 °C (1) ACD |
| logD 2.43 pH 1;Izinga lokushisa: 25 °C (1) ACD |
| logD 3.45 pH 2;Izinga lokushisa: 25 °C (1) ACD |
| logD 5.09 pH 3;Izinga lokushisa: 25 °C (1) ACD |
| Impahla | Inani | Isimo | Umthombo |
| logD | 6.09 | i-pH 4;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 6.30 | pH 5;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 6.33 | pH 6;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 6.33 | pH 7;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 6.32 | pH 8;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 6.25 | pH 9;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 5.84 | pH 10;Izinga lokushisa: 25 °C | (1) ACD |
| logP | 6.329±0.771 | Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Intrinsic Solubility | 1.8 x 10-4 g/L | Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 1.4 g/L | i-pH 1;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.14 g/L | pH 2;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 3.1 x 10-3 g/L | i-pH 3;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 3.2 x 10-4 g/L | i-pH 4;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 1.9 x 10-4 g/L | pH 5;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 1.8 x 10-4 g/L | pH 6;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 1.8 x 10-4 g/L | pH 7;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 1.8 x 10-4 g/L | pH 8;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 2.2 x 10-4 g/L | pH 9;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 5.6 x 10-4 g/L | pH 10;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 1.8 x 10-4 g/L | Amanzi Angenabuffered pH 7.00;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Intrinsic Solubility | 2.3 x 10-7 mol/L | Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.8 x 10-3 mol/L | i-pH 1;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.7 x 10-4 mol/L | pH 2;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 3.9 x 10-6 mol/L | i-pH 3;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 4.0 x 10-7 mol/L | i-pH 4;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 2.4 x 10-7 mol/L | pH 5;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 2.3 x 10-7 mol/L | pH 6;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 2.3 x 10-7 mol/L | pH 7;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 2.3 x 10-7 mol/L | pH 8;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 2.8 x 10-7 mol/L | pH 9;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 7.0 x 10-7 mol/L | pH 10;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 2.3 x 10-7 mol/L | Amanzi Angenabuffered pH 7.00;Izinga lokushisa: 25 °C | (1) ACD |
| Impahla | Inani | Isimo | Umthombo |
| Isisindo samangqamuzana | 801.87 | ||
| pKa | 10.18±0.20 | Izinga Le-Acidic Elikhulu: 25 °C | (1) ACD |
| pKa | 3.57±0.20 | Izinga Lokushisa Eziyisisekelo: 25 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Impahla | Inani | Isimo | Umthombo |
| Amabhondi Ashintshashintshayo Ngokukhululekile | 18 | (1) ACD | |
| H Abamukelayo | 14 | (1) ACD | |
| H Abaxhasi | 1 | (1) ACD | |
| H Isamba Somnikeli/Umamukeli | 15 | (1) ACD | |
| logP | 6.329±0.771 | Izinga lokushisa: 25 °C | (1) ACD |
| Isisindo samangqamuzana | 801.87 |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Impahla | Inani | Umthombo Wesimo |
| Indawo ye-Polar Surface | 167 A2 | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
I-Spectra iyatholakala
1H NMR
13C NMR
![C47H60N7O10P Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2- methoxyethyl)-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N ,N-bis (1-methylethyl)phosphoramidite] (ACI)](https://www.csnvchem.com/uploads/C47H60N7O10P-Guanosine-300x300.png)
![C50H60N5O10P Cytidine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- (2-methoxyethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl) phosphoramidite] (ACI)](https://www.csnvchem.com/uploads/C50H60N5O10P-Cytidine-300x300.png)
![C40H49N4O9P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI)](https://www.csnvchem.com/uploads/C40H49N4O9P-Uridine-300x300.png)
![C47H51FN7O7P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – deoxy-2′ -fluoro-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) phosphor amidite] (ACI)](https://www.csnvchem.com/uploads/C47H51FN7O7P-Adenosine-300x300.png)
![C41H49FN5O8P Cytidine, N-acetyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – deoxy-2′ -fluoro-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) phosphor amidite] (ACI)](https://www.csnvchem.com/uploads/C41H49FN5O8P-Cytidine-300x300.png)
![C48H54N7O8P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphor amidite] (ACI)](https://www.csnvchem.com/uploads/C48H54N7O8P-300x300.png)