![C47H60N7O10P Guanosine, 5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′-O-(2-metoksyetyl)-N-(2-metyl-1-oksopropyl)-, 3′ – [2-cyanoetyl N,N-bis(1-metyletyl)fosforamidyt] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C47H60N7O10P Guanosine, 5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′-O-(2-metoksytyl)-N-(2-metyl-1-oksopropyl)-, 3′ – [2-cyanoetyl N,N-bis (1-metyletyl)fosforamidyt] (ACI) Ofbylding](https://www.csnvchem.com/uploads/C47H60N7O10P-Guanosine.png)
C47H60N7O10P Guanosine, 5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′-O-(2-metoksyetyl)-N-(2-metyl-1-oksopropyl)-, 3′ – [2-cyanoetyl N,N-bis(1-metyletyl)fosforamidyt] (ACI)
CAS-registraasjenûmer
251647-55-9
H302
| Wichtige fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 914.00 | - |
| pKa (Foarsein) | 9.16±0.20 | Soerste temperatuer: 25 °C |
Kanonike 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
Isomere 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
YnChI
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(64-46)-40(6246)-8 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/o10-12,14-23,29-32,38,40-41,45O,13,25-28O2,1-9O3,(O2,50,51,52,55,56)/t38-,40-,41-,45-,65?/m1/s1
InChI-kaai
LADCDGNEBIQAAU-SBCRAQIVSA-N
17 Oare nammen foar dizze stof
Guanosine, 5′ -O- [bis(4-metoksyfenyl)fenylmetyl]-2′ -O-(2-metoksyetyl)-N-(2-methyl-1-oxopropyl)-, 3′-[2-cyanoethyl bis(1-methylethyl)fosforamidyt] (9CI); 17: PN: US20030212017 SIDE: 20 opeaske sekwinsje; 18: PN: US20030211606 SIDE: 20
opeaske sekwinsje; 19: PN: US20040005569 SIDE: 22 opeaske sekwinsje; 21: PN: US20040006030 SIDE: 23 opeaske sekwinsje; 21: PN: US20040014047 SIDE: 21 opeaske sekwinsje; 21: PN: US20040014049 SIDE: 21 opeaske sekwinsje; 22: PN: US20030198965 PAG
E: 20 opeaske sekwinsje; 22: PN: US20040005570 SIDE: 21 opeaske sekwinsje; 22: PN: US20040014048 SIDE: 21 opeaske sekwinsje;
22: PN: US20040014050 SIDE: 21 opeaske sekwinsje; 23: PN: US20040005565 SIDE: 17-22 opeaske sekwinsje; 23: PN: US20040
014051 SIDE: 23 opeaske sekwinsje; 24: PN: US20040014699 SIDE: 21 opeaske sekwinsje; 25: PN: US20040006029 SIDE: 23 opeaske sekwinsje; 25: PN: WO03106645 SIDE: 73 opeaske sekwinsje; 96: PN: US20040005707 SIDE: 21 opeaske sekwinsje
Spektra beskikber
13C NMR
Hetero NMR
Beskikbere eigenskippen
Biologysk
Gemysk
Lipinski
Struktuer relatearre
| Besit | Wearde | Betingst | Boarne |
| Biokonsintraasjefaktor | 121 | pH 1; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 2580 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 23500 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 71800 | pH 4; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 89800 | pH 5; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 92100 | pH 6; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 91300 | pH 7; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 82500 | pH 8; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 42200 | pH 9; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 7860 | pH 10; Temperatuer: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Besit | Wearde | Betingst | Boarne |
| Koc | 164 | pH 1; Temperatuer: 25 °C | (1) ACD |
| Koc | 3480 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Koc | 31700 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Koc | 96900 | pH 4; Temperatuer: 25 °C | (1) ACD |
| Koc | 1.21 x 105 | pH 5; Temperatuer: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Koc | 1.24 x 105 | pH 6; Temperatuer: 25 °C | (1) ACD |
| Koc | 1.23 x 105 | pH 7; Temperatuer: 25 °C | (1) ACD |
| Koc | 1.11 x 105 | pH 8; Temperatuer: 25 °C | (1) ACD |
| Koc | 56900 | pH 9; Temperatuer: 25 °C | (1) ACD |
| Koc | 10600 | pH 10; Temperatuer: 25 °C | (1) ACD |
| logD | 3.95 | pH 1; Temperatuer: 25 °C | (1) ACD |
| logD | 5.28 | pH 2; Temperatuer: 25 °C | (1) ACD |
| logD | 6.24 | pH 3; Temperatuer: 25 °C | (1) ACD |
| logD | 6.73 | pH 4; Temperatuer: 25 °C | (1) ACD |
| logD | 6.82 | pH 5; Temperatuer: 25 °C | (1) ACD |
| logD | 6.83 | pH 6; Temperatuer: 25 °C | (1) ACD |
| logD | 6.83 | pH 7; Temperatuer: 25 °C | (1) ACD |
| logD | 6.79 | pH 8; Temperatuer: 25 °C | (1) ACD |
| logD | 6.50 | pH 9; Temperatuer: 25 °C | (1) ACD |
| logD | 5.77 | pH 10; Temperatuer: 25 °C | (1) ACD |
| logP | 6.837±0.764 | Temperatuer: 25 °C | (1) ACD |
| Massa yntrinsike oplosberens | 4,4 x 10-4 g/L | Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 0,34 g/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 0,016 g/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,7 x 10-3 g/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 5,7 x 10-4 g/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 4,6 x 10-4 g/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 4,4 x 10-4 g/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 4,5 x 10-4 g/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 4,9 x 10-4 g/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,0 x 10-3 g/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 5,2 x 10-3 g/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 4,5 x 10-4 g/L | Unbufferd wetter pH 6.99; Temp: 25 °C | (1) ACD |
| Molêre yntrinsike oplosberens | 4,8 x 10-7 mol/L | Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 3,7 x 10-4 mol/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,7 x 10-5 mol/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,9 x 10-6 mol/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Molêre oplosberens | 6,2 x 10-7 mol/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 5,0 x 10-7 mol/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 4,8 x 10-7 mol/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 4,9 x 10-7 mol/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 5,4 x 10-7 mol/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,1 x 10-6 mol/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 5,7 x 10-6 mol/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 4,9 x 10-7 mol/L | Unbufferd wetter pH 6.99; Temp: 25 °C | (1) ACD |
| Molekulêr gewicht | 914.00 | ||
| pKa | 9.16±0.20 | Soerste temperatuer: 25 °C | (1) ACD |
| pKa | 3,45±0,70 | Meast basistemperatuer: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Besit | Wearde | Betingst | Boarne |
| Frij rotearbere obligaasjes | 22 | (1) ACD | |
| H-akseptors | 17 | (1) ACD | |
| H Donateurs | 2 | (1) ACD | |
| H Donor/Akseptor Som | 19 | (1) ACD | |
| logP | 6.837±0.764 | Temperatuer: 25 °C | (1) ACD |
| Molekulêr gewicht | 914.00 |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Besit | Wearde | Boarne fan 'e tastân |
| Poaloerflak | 203 A2 | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spektra beskikber
1H NMR
13C NMR
| Boarne fan 'e gefaarferklearring fan 'e koade | |
| H302 Skealik by ynslikken | Klassifikaasje en etikettering fan it Europeesk Gemysk Agintskip (ECHA) Ynventaris - Notifisearre klassifikaasje en etikettering - meast foarkommende notifikaasjes, Europeesk Gemysk Agintskip (ECHA) Klassifikaasje- en etiketteringsynventaris - Meldde klassifikaasje en etikettering - meast serieuze meldingen |
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