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)phosphoramidi] (ACI)

oloa

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)phosphoramidi] (ACI)

Fa'amatalaga Autu:


Fa'amatalaga Oloa

Faailoga o oloa

Auiliiliga Mea

Numera Resitala CAS

251647-55-9

H302

Meatotino Faaletino Autu Taua Tulaga
Molecular Weight 914.00 -
pKa (vala'aina) 9.16±0.20 Le Tele o le Acid Temp: 25 °C

Isi Igoa ma Fa'ailoaga

ATA'ITA'I Canonical

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

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

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

InChI Ki

LADCDGNEBIQAAU-SBCRAQIVSA-N

17 Isi Igoa mo lea mea

Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methoxyethyl)-N-(2-methyl-1-oxopropyl)-, 3′ - [2-cyanoethyl bis(1- methylethyl)phosphoramidi] (9CI);17: PN: US20030212017 ITULAU: 20 faʻasologa faʻasologa;18: PN: US20030211606 ITULAU: 20

fai fa'asologa;19: PN: US20040005569 ITULAU: 22 fai mai faasologa;21: PN: US20040006030 ITULAU: 23 fai mai faasologa;21: PN: US20040014047 ITULAU: 21 fai mai faasologa;21: PN: US20040014049 ITULAU: 21 fai mai faasologa;22: PN: US20030198965 PAG

E: 20 fai mai fa'asologa;22: PN: US20040005570 ITULAU: 21 fai mai faasologa;22: PN: US20040014048 ITULAU: 21 fai mai faasologa;

22: PN: US20040014050 ITULAU: 21 fai mai faasologa;23: PN: US20040005565 ITULAU: 17- 22 faʻasologa faʻasologa;23: PN: US20040

014051 ITULAU: 23 fai mai faasologa;24: PN: US20040014699 ITULAU: 21 fai mai faasologa;25: PN: US20040006029 ITULAU: 23 fai mai faasologa;25: PN: WO03106645 ITULAU: 73 fai mai faasologa;96: PN: US20040005707 ITULAU: 21 fa'asologa fa'asologa

Fa'ata'ita'iga Spectra

Spectra avanoa
13 C NMR
Hetero NMR

Meatotino Va'ai

Meatotino avanoa
Biological
Kemisi
Lipinski
Fauga Faatatau

Biological

Meatotino Taua Tulaga Punavai
Bioconcentration Factor 121 pH 1;Maalili: 25 °C (1) ACD
Bioconcentration Factor 2580 pH 2;Maalili: 25 °C (1) ACD
Bioconcentration Factor 23500 pH 3;Maalili: 25 °C (1) ACD
Bioconcentration Factor 71800 pH 4;Maalili: 25 °C (1) ACD
Bioconcentration Factor 89800 pH 5;Maalili: 25 °C (1) ACD
Bioconcentration Factor 92100 pH 6;Maalili: 25 °C (1) ACD
Bioconcentration Factor 91300 pH 7;Maalili: 25 °C (1) ACD
Bioconcentration Factor 82500 pH 8;Maalili: 25 °C (1) ACD
Bioconcentration Factor 42200 pH 9;Maalili: 25 °C (1) ACD
Bioconcentration Factor 7860 pH 10;Maalili: 25 °C (1) ACD

(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)

Kemisi

Meatotino Taua Tulaga Punavai
Koc 164 pH 1;Maalili: 25 °C (1) ACD
Koc 3480 pH 2;Maalili: 25 °C (1) ACD
Koc 31700 pH 3;Maalili: 25 °C (1) ACD
Koc 96900 pH 4;Maalili: 25 °C (1) ACD
Koc 1.21 x 105 pH 5;Maalili: 25 °C (1) ACD

 

Meatotino Taua Tulaga Punavai
Koc 1.24 x 105 pH 6;Maalili: 25 °C (1) ACD
Koc 1.23 x 105 pH 7;Maalili: 25 °C (1) ACD
Koc 1.11 x 105 pH 8;Maalili: 25 °C (1) ACD
Koc 56900 pH 9;Maalili: 25 °C (1) ACD
Koc 10600 pH 10;Maalili: 25 °C (1) ACD
ogalaauD 3.95 pH 1;Maalili: 25 °C (1) ACD
ogalaauD 5.28 pH 2;Maalili: 25 °C (1) ACD
ogalaauD 6.24 pH 3;Maalili: 25 °C (1) ACD
ogalaauD 6.73 pH 4;Maalili: 25 °C (1) ACD
ogalaauD 6.82 pH 5;Maalili: 25 °C (1) ACD
ogalaauD 6.83 pH 6;Maalili: 25 °C (1) ACD
ogalaauD 6.83 pH 7;Maalili: 25 °C (1) ACD
ogalaauD 6.79 pH 8;Maalili: 25 °C (1) ACD
ogalaauD 6.50 pH 9;Maalili: 25 °C (1) ACD
ogalaauD 5.77 pH 10;Maalili: 25 °C (1) ACD
logP 6.837±0.764 Maalili: 25 °C (1) ACD
Mass Intrinsic Solubility 4.4 x 10-4 g/L Maalili: 25 °C (1) ACD
Mass Solubility 0.34 g/L pH 1;Maalili: 25 °C (1) ACD
Mass Solubility 0.016 g/L pH 2;Maalili: 25 °C (1) ACD
Mass Solubility 1.7 x 10-3 g/L pH 3;Maalili: 25 °C (1) ACD
Mass Solubility 5.7 x 10-4 g/L pH 4;Maalili: 25 °C (1) ACD
Mass Solubility 4.6 x 10-4 g/L pH 5;Maalili: 25 °C (1) ACD
Mass Solubility 4.4 x 10-4 g/L pH 6;Maalili: 25 °C (1) ACD
Mass Solubility 4.5 x 10-4 g/L pH 7;Maalili: 25 °C (1) ACD
Mass Solubility 4.9 x 10-4 g/L pH 8;Maalili: 25 °C (1) ACD
Mass Solubility 1.0 x 10-3 g/L pH 9;Maalili: 25 °C (1) ACD
Mass Solubility 5.2 x 10-3 g/L pH 10;Maalili: 25 °C (1) ACD
Mass Solubility 4.5 x 10-4 g/L Suavai e le fa'asaoina pH 6.99;Maalili: 25 °C (1) ACD
Molar Intrinsic Solubility 4.8 x 10-7 mol/L Maalili: 25 °C (1) ACD
Molar Solubility 3.7 x 10-4 mol/L pH 1;Maalili: 25 °C (1) ACD
Molar Solubility 1.7 x 10-5 mol/L pH 2;Maalili: 25 °C (1) ACD
Molar Solubility 1.9 x 10-6 mol/L pH 3;Maalili: 25 °C (1) ACD

 

Meatotino Taua Tulaga Punavai
Molar Solubility 6.2 x 10-7 mol/L pH 4;Maalili: 25 °C (1) ACD
Molar Solubility 5.0 x 10-7 mol/L pH 5;Maalili: 25 °C (1) ACD
Molar Solubility 4.8 x 10-7 mol/L pH 6;Maalili: 25 °C (1) ACD
Molar Solubility 4.9 x 10-7 mol/L pH 7;Maalili: 25 °C (1) ACD
Molar Solubility 5.4 x 10-7 mol/L pH 8;Maalili: 25 °C (1) ACD
Molar Solubility 1.1 x 10-6 mol/L pH 9;Maalili: 25 °C (1) ACD
Molar Solubility 5.7 x 10-6 mol/L pH 10;Maalili: 25 °C (1) ACD
Molar Solubility 4.9 x 10-7 mol/L Suavai e le fa'asaoina pH 6.99;Maalili: 25 °C (1) ACD
Molecular Weight 914.00    
pKa 9.16±0.20 Le Tele o le Acid Temp: 25 °C (1) ACD
pKa 3.45±0.70 Tele Su'esu'ega Autu: 25 °C (1) ACD

(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Meatotino Taua Tulaga Punavai
Noanoaga e mafai ona fesuia'i saoloto 22   (1) ACD
H Tagata talia 17   (1) ACD
H Donors 2   (1) ACD
H Fa'ameaalofa/Tagata Talia 19   (1) ACD
logP 6.837±0.764 Maalili: 25 °C (1) ACD
Molecular Weight 914.00    

(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)

Fauga Faatatau

Meatotino Taua Tulaga Punavai
Polar Surface Area 203 A2 (1) ACD

(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)

Va'aiga Spectra

Spectra avanoa
1 H NMR
13 C NMR

Fa'amatalaga o Tulaga Lamatia o le GHS

Fa'amatalaga Fa'amatalaga o Tulaga Lamatia
H302 E afaina pe a foloina European Chemical Agency (ECHA) Fa'avasegaina & Fa'ailoga

Inventory - Fa'ailoaina le fa'avasegaina ma le fa'ailoga - fa'amatalaga masani, European Chemical Agency (ECHA)

Fa'avasegaga & Fa'ailoga Fa'ailoga - Fa'ailoaina le fa'avasegaina ma le fa'ailoga - fa'amatalaga sili ona ogaoga


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