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)
Inombolo Yokubhalisa ye-CAS
251647-55-9
H302
Izici Zomzimba Eziyinhloko | Inani | Isimo |
Isisindo samangqamuzana | 914.00 | - |
pKa (Kubikezelwe) | 9.16±0.20 | Izinga Le-Acidic Elikhulu: 25 °C |
I-Canonical SMILES
N#CCCOP(OC1C(OC(N2C= NC=3C(=O)N=C(NC(=O)C(C)C)NC32)C1OCCOC)COC(C=4C=CC=CC4)(C5=CC =C(OC)C=C5)C6=CC=C(OC)C=C6) 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)N2C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3)(C4=CC=C (OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
I-InChI
InChI= 1S/C47H60N7O10P/c1-30(2)43(55)51-46-50-42-39(44(56)52-46)49-29-53(42)45-41(60-27-26- 57-7)40(64-65(62-25-13-24-48)54( 31(3)4)32(5)6)38(63-45)28-61-47(33-14-11-10-12-15-33,34-16-20-3) 6(58-8)21-17-34)35-18-22-37(59-9)23-19-35/h10-12,14-23,29-32,38 ,40-41,45H,13,25-28H2,1-9H3,(H2,50,51,52,55,56)/t38-,40-,41-,45-,65?/m1/s1
Ukhiye we-InchI
I-LADCDGNEBIQAAU-SBCRAQIVSA-N
17 Amanye Amagama Alesi Sitho
I-Guanosine, 5′-O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methoxyethyl)-N-(2-methyl-1-oxopropyl)-, 3′ - [2-cyanoethyl bis(1- methylethyl)phosphoramidite] (9CI); 17: PN: US20030212017 IKHASI: 20 okufunwa ukulandelana; 18: PN: US20030211606 IKHASI: 20
ukulandelana okufunwayo; 19: PN: US20040005569 IKHASI: 22 okufunwa ukulandelana; 21: PN: US20040006030 IKHASI: 23 ukulandelana okufunwayo; 21: PN: US20040014047 IKHASI: 21 ukulandelana okufunwayo; 21: PN: US20040014049 IKHASI: 21 ukulandelana okufunwayo; 22: PN: US20030198965 PAG
E: 20 ukulandelana okufunwayo; 22: PN: US20040005570 IKHASI: 21 ukulandelana okufunwayo; 22: PN: US20040014048 IKHASI: 21 ukulandelana okufunwayo;
22: PN: US20040014050 IKHASI: 21 ukulandelana okufunwayo; 23: PN: US20040005565 IKHASI: 17- 22 okufunwa ukulandelana; 23: PN: US20040
014051 IKHASI: 23 ukulandelana okufunwayo; 24: PN: US20040014699 IKHASI: 21 ukulandelana okufunwayo; 25: PN: US20040006029 IKHASI: 23 ukulandelana okufunwayo; 25: PN: WO03106645 IKHASI: 73 ukulandelana okufunwayo; 96: PN: US20040005707 IKHASI: 21 ukulandelana okufunwayo
I-Spectra iyatholakala
13 C NMR
I-Hetero NMR
Izakhiwo ezitholakalayo
I-Biological
Amakhemikhali
I-Lipinski
Okuhlobene Nesakhiwo
Impahla | Inani | Isimo | Umthombo |
I-Bioconcentration Factor | 121 | pH 1; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 2580 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 23500 | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 71800 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 89800 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 92100 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 91300 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 82500 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 42200 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 7860 | 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 | 164 | pH 1; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 3480 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 31700 | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 96900 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 1.21 x 105 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
Impahla | Inani | Isimo | Umthombo |
Koc | 1.24 x 105 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 1.23 x 105 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 1.11 x 105 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 56900 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 10600 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
logD | 3.95 | pH 1; Izinga lokushisa: 25 °C | (1) ACD |
logD | 5.28 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
logD | 6.24 | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
logD | 6.73 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
logD | 6.82 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
logD | 6.83 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
logD | 6.83 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
logD | 6.79 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
logD | 6.50 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
logD | 5.77 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
logP | 6.837±0.764 | Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Intrinsic Solubility | 4.4 x 10-4 g/L | Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 0.34 g/L | pH 1; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 0.016 g/L | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 1.7 x 10-3 g/L | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 5.7 x 10-4 g/L | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 4.6 x 10-4 g/L | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 4.4 x 10-4 g/L | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 4.5 x 10-4 g/L | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 4.9 x 10-4 g/L | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 1.0 x 10-3 g/L | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 5.2 x 10-3 g/L | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 4.5 x 10-4 g/L | Amanzi Angakhiqiziwe pH 6.99; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Intrinsic Solubility | 4.8 x 10-7 mol/L | Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 3.7 x 10-4 mol/L | pH 1; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 1.7 x 10-5 mol/L | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 1.9 x 10-6 mol/L | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
Impahla | Inani | Isimo | Umthombo |
I-Molar Solubility | 6.2 x 10-7 mol/L | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 5.0 x 10-7 mol/L | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 4.8 x 10-7 mol/L | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 4.9 x 10-7 mol/L | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 5.4 x 10-7 mol/L | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 1.1 x 10-6 mol/L | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 5.7 x 10-6 mol/L | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 4.9 x 10-7 mol/L | Amanzi Angakhiqiziwe pH 6.99; Izinga lokushisa: 25 °C | (1) ACD |
Isisindo samangqamuzana | 914.00 | ||
pKa | 9.16±0.20 | 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 | 17 | (1) ACD | |
H Abanikeli | 2 | (1) ACD | |
H Isamba Somnikeli/Umamukeli | 19 | (1) ACD | |
logP | 6.837±0.764 | Izinga lokushisa: 25 °C | (1) ACD |
Isisindo samangqamuzana | 914.00 |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Impahla | Inani | Umthombo Wesimo |
Indawo ye-Polar Surface | 203 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 |