![C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) phosphoramidite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) ) i-phosphoramidite] (ACI) Isithombe Esifakiwe](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine.png)
C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) phosphoramidite] (ACI)
Inombolo Yokubhalisa ye-CAS
251647-53-7
H302
| Izici Zomzimba Eziyinhloko | Inani | Isimo |
| Isisindo samangqamuzana | 932.01 | - |
| pKa (Kubikezelwe) | 7.87±0.43 | Izinga Le-Acidic Elikhulu: 25 °C |
I-Canonical SMILES
N#CCCOP(OC1C(OC(N2C= NC=3C(= NC= NC32)NC(=O)C=4C=CC=CC4)C1OCCOC)COC(C=5C=CC=CC5)(C6=CC=C (OC)C=C6)C7=CC=C(OC) C=C7)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](OCCOC)[C@@ H](O1)N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4)N=CN3)(C5 =CC=C(OC)C=C5)(C6=CC =C(OC)C=C6)C7=CC=CC=C7
I-InChI
I-InChI= 1S/C50H58N7O9P/c1-34(2)57(35(3)4)67(64-28-14-27-51)66-44-42(31-63-50(37-17-12-) 9-13-18-37,38-19-23-40(60-6)24-20-38)3 9-21-25-41(61-7)26-22-39)65-49(45) (44)62-30-29-59-5)56-33-54-43-46(52-32-53-47(43)56)55-48(58)36-15-10-8-11 -16-36/h8-13,15-26, 32-35,42,44-45,49H,14,28-31H2,1-7H3,(H,52,53,55,58)/t42-, 44-,45-,49-,67?/m1/s1
Ukhiye we-InchI
I-VPBYBQBHLYRLHG-HDMAWCRFSA-N
16 Amanye Amagama Alesi Sitho
I-Adenosine,N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methoxyethyl)-, 3′ - [2-cyanoethyl bis(1-methylethyl)
phosphoramidite] (9CI);16: PN: US20030211606 IKHASI: 19 ukulandelana okufunwayo;16: PN: US20030212017 IKHASI: 20 okufunwa ukulandelana;17: PN: US20040005569 IKHASI: 22 okufunwa ukulandelana;19: PN: US20040006030 IKHASI: 23 ukulandelana okufunwayo;19: PN: US20040014047
IKHASI: 21 ukulandelana okufunwayo;19: PN: US20040014049 IKHASI: 21 ukulandelana okufunwayo;20: PN: US20040005570 IKHASI: 20 okufunwayo
ukulandelana;20: PN: US20040014048 IKHASI: 21 ukulandelana okufunwayo;20: PN: US20040014050 IKHASI: 20 okufunwa ukulandelana;21: PN: U
S20040005565 IKHASI: 17- 22 ukulandelana okufunwayo;21: PN: US20040014051 IKHASI: 23 ukulandelana okufunwayo;22: PN: US20040014699 IKHASI: 20 okufunwa ukulandelana;23: PN: US20040006029 IKHASI: 23 ukulandelana okufunwayo;23: PN: WO03106645 IKHASI: 73 ukulandelana okufunwayo;94: P N: US20040005707 IKHASI: 20 ukulandelana okufunwayo
I-Spectra iyatholakala
1 H NMR
13 C NMR
I-Hetero NMR
Izakhiwo ezitholakalayo
I-Biological
Amakhemikhali
I-Lipinski
Okuhlobene Nesakhiwo
| Impahla | Inani | Isimo | Umthombo |
| I-Bioconcentration Factor | 2680 | i-pH 1;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 71500 | pH 2;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 7.21 x 105 | i-pH 3;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | i-pH 4;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 5;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 6;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 7;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 8.48 x 105 | pH 8;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.39 x 105 | pH 9;Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 40300 | pH 10;Izinga lokushisa: 25 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Impahla | Inani | Isimo | Umthombo |
| Koc | 1360 | i-pH 1;Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 36300 | pH 2;Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 3.66 x 105 | i-pH 3;Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 1.13 x 106 | i-pH 4;Izinga lokushisa: 25 °C | (1) ACD |
| Impahla | Inani | Isimo | Umthombo |
| Koc | 1.42 x 106 | pH 5;Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 1.42 x 106 | pH 6;Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 1.17 x 106 | pH 7;Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 4.30 x 105 | pH 8;Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 70800 | pH 9;Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 20500 | pH 10;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 5.77 | i-pH 1;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 7.20 | pH 2;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 8.20 | i-pH 3;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 8.69 | i-pH 4;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 8.79 | pH 5;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 8.79 | pH 6;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 8.71 | pH 7;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 8.27 | pH 8;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 7.49 | pH 9;Izinga lokushisa: 25 °C | (1) ACD |
| logD | 6.95 | pH 10;Izinga lokushisa: 25 °C | (1) ACD |
| logP | 8.803±0.766 | Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Intrinsic Solubility | 5.4 x 10-5 g/L | Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.051 g/L | i-pH 1;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 1.9 x 10-3 g/L | pH 2;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 1.9 x 10-4 g/L | i-pH 3;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 6.0 x 10-5 g/L | i-pH 4;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 4.8 x 10-5 g/L | pH 5;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 4.8 x 10-5 g/L | pH 6;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 5.8 x 10-5 g/L | pH 7;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 1.6 x 10-4 g/L | pH 8;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 9.3 x 10-4 g/L | pH 9;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 3.6 x 10-3 g/L | pH 10;Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 5.7 x 10-5 g/L | Amanzi Angakhiqiziwe pH 6.97;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Intrinsic Solubility | 5.8 x 10-8 mol/L | Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 5.5 x 10-5 mol/L | i-pH 1;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 2.0 x 10-6 mol/L | pH 2;Izinga lokushisa: 25 °C | (1) ACD |
| Impahla | Inani | Isimo | Umthombo |
| I-Molar Solubility | 2.0 x 10-7 mol/L | i-pH 3;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 6.4 x 10-8 mol/L | i-pH 4;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 5.1 x 10-8 mol/L | pH 5;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 5.1 x 10-8 mol/L | pH 6;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 6.2 x 10-8 mol/L | pH 7;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.7 x 10-7 mol/L | pH 8;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.0 x 10-6 mol/L | pH 9;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 3.9 x 10-6 mol/L | pH 10;Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 6.1 x 10-8 mol/L | Amanzi Angakhiqiziwe pH 6.97;Izinga lokushisa: 25 °C | (1) ACD |
| Isisindo samangqamuzana | 932.01 | ||
| pKa | 7.87±0.43 | Izinga Le-Acidic Elikhulu: 25 °C | (1) ACD |
| pKa | 3.45±0.70 | 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 | 22 | (1) ACD | |
| H Abamukelayo | 16 | (1) ACD | |
| H Abaxhasi | 1 | (1) ACD | |
| H Isamba Somnikeli/Umamukeli | 17 | (1) ACD | |
| logP | 8.803±0.766 | Izinga lokushisa: 25 °C | (1) ACD |
| Isisindo samangqamuzana | 932.01 |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Impahla | Inani | Umthombo Wesimo |
| Indawo ye-Polar Surface | 187 A2 | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
I-Spectra iyatholakala
1 H NMR
13 C NMR
| Umthombo Wesitatimende Sengozi Yekhodi | |
| H302 Iyingozi uma igwinywe | I-European Chemical Agency (ECHA) Classification&Labelling I-Inventory - Izigaba ezaziswe nokulebula - izaziso ezivame kakhulu, i-European Chemical Agency (ECHA) Ukuhlelwa Nokufakwa Kwelebula - Izigaba ezaziswe nokulebula - izaziso ezibucayi kakhulu |
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