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)

umkhiqizo

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)

Ulwazi Oluyisisekelo:


Imininingwane Yomkhiqizo

Omaka bomkhiqizo

Imininingwane Yezidakamizwa

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

Amanye Amagama Nezihlonzi

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

I-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- 14-11-10-12-15-33,34-16-20-36(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 yokuhlola

I-Spectra iyatholakala
13 C NMR
I-Hetero NMR

Izakhiwo Ezibikezelwe

Izakhiwo ezitholakalayo
I-Biological
Amakhemikhali
Lipinski
Okuhlobene Nesakhiwo

I-Biological

Impahla Inani Isimo Umthombo
I-Bioconcentration Factor 121 i-pH 1; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 2580 pH 2; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 23500 i-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)

Amakhemikhali

Impahla Inani Isimo Umthombo
Koc 164 i-pH 1; Izinga lokushisa: 25 °C (1) ACD
Koc 3480 pH 2; Izinga lokushisa: 25 °C (1) ACD
Koc 31700 i-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 i-pH 1; Izinga lokushisa: 25 °C (1) ACD
logD 5.28 pH 2; Izinga lokushisa: 25 °C (1) ACD
logD 6.24 i-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 i-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 i-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 i-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 i-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)

Lipinski

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)

Okuhlobene Nesakhiwo

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 ebikezelwe

I-Spectra iyatholakala
1 H NMR
13 C NMR

Izitatimende Zengozi ye-GHS

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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