![C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-(2-metoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) ) fosforamidite] (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-metoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) ) phosphoramidite] (ACI) Immaġni Dehru](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine.png)
C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-(2-metoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) ) fosforamidite] (ACI)
Numru tar-Reġistru CAS
251647-53-7
H302
| Proprjetajiet Fiżiċi Ewlenin | Valur | Kundizzjoni |
| Piż Molekulari | 932.01 | - |
| pKa (Imbassar) | 7.87±0.43 | L-aktar Temp Aċidiku: 25 °C |
Tbissim Kanoniċi
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
Tbissim iżomeriku
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
InChI
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
InChI Key
VPBYBQBHLYRLHG-HDMAWCRFSA-N
16 Ismijiet Oħra għal din is-Sustanza
Adenosine,N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-metoxyethyl)-, 3′ - [2-cyanoethyl bis(1-methylethyl)
fosforamidite] (9CI); 16: PN: US20030211606 PAĠNA: 19 sekwenza mitluba; 16: PN: US20030212017 PAĠNA: 20 sekwenza mitluba; 17: PN: US20040005569 PAĠNA: 22 sekwenza mitluba; 19: PN: US20040006030 PAĠNA: 23 sekwenza mitluba; 19: PN: US20040014047
PAĠNA: 21 sekwenza mitluba; 19: PN: US20040014049 PAĠNA: 21 sekwenza mitluba; 20: PN: US20040005570 PAĠNA: 20 mitluba
sekwenza; 20: PN: US20040014048 PAĠNA: 21 sekwenza mitluba; 20: PN: US20040014050 PAĠNA: 20 sekwenza mitluba; 21: PN: U
S20040005565 PAĠNA: 17- 22 sekwenza mitluba; 21: PN: US20040014051 PAĠNA: 23 sekwenza mitluba; 22: PN: US20040014699 PAĠNA: 20 sekwenza mitluba; 23: PN: US20040006029 PAĠNA: 23 sekwenza mitluba; 23: PN: WO03106645 PAĠNA: 73 sekwenza mitluba; 94: P N: US20040005707 PAĠNA: 20 sekwenza mitluba
Spettri disponibbli
1H NMR
13 C NMR
Etero NMR
Proprjetajiet disponibbli
Bijoloġiċi
Kimika
Lipinski
Struttura Relatati
| Proprjetà | Valur | Kundizzjoni | Sors |
| Fattur tal-Bijokonċentrazzjoni | 2680 | pH 1; Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 71500 | pH 2; Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 7.21 x 105 | pH 3; Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 1.00 x 106 | pH 4; Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 1.00 x 106 | pH 5; Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 1.00 x 106 | pH 6; Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 1.00 x 106 | pH 7; Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 8.48 x 105 | pH 8; Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 1.39 x 105 | pH 9; Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 40300 | pH 10; Temp: 25 °C | (1) ACD |
(1) Ikkalkulat bl-użu ta' Software għall-Iżvilupp tal-Kimika Avvanzata (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Proprjetà | Valur | Kundizzjoni | Sors |
| Koc | 1360 | pH 1; Temp: 25 °C | (1) ACD |
| Koc | 36300 | pH 2; Temp: 25 °C | (1) ACD |
| Koc | 3.66 x 105 | pH 3; Temp: 25 °C | (1) ACD |
| Koc | 1.13 x 106 | pH 4; Temp: 25 °C | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| Koc | 1.42 x 106 | pH 5; Temp: 25 °C | (1) ACD |
| Koc | 1.42 x 106 | pH 6; Temp: 25 °C | (1) ACD |
| Koc | 1.17 x 106 | pH 7; Temp: 25 °C | (1) ACD |
| Koc | 4.30 x 105 | pH 8; Temp: 25 °C | (1) ACD |
| Koc | 70800 | pH 9; Temp: 25 °C | (1) ACD |
| Koc | 20500 | pH 10; Temp: 25 °C | (1) ACD |
| logD | 5.77 | pH 1; Temp: 25 °C | (1) ACD |
| logD | 7.20 | pH 2; Temp: 25 °C | (1) ACD |
| logD | 8.20 | pH 3; Temp: 25 °C | (1) ACD |
| logD | 8.69 | pH 4; Temp: 25 °C | (1) ACD |
| logD | 8.79 | pH 5; Temp: 25 °C | (1) ACD |
| logD | 8.79 | pH 6; Temp: 25 °C | (1) ACD |
| logD | 8.71 | pH 7; Temp: 25 °C | (1) ACD |
| logD | 8.27 | pH 8; Temp: 25 °C | (1) ACD |
| logD | 7.49 | pH 9; Temp: 25 °C | (1) ACD |
| logD | 6.95 | pH 10; Temp: 25 °C | (1) ACD |
| logP | 8.803±0.766 | Temp: 25 °C | (1) ACD |
| Solubilità Intrinsika tal-Massa | 5.4 x 10-5 g/L | Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 0.051 g/L | pH 1; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 1.9 x 10-3 g/L | pH 2; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 1.9 x 10-4 g/L | pH 3; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 6.0 x 10-5 g/L | pH 4; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 4.8 x 10-5 g/L | pH 5; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 4.8 x 10-5 g/L | pH 6; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 5.8 x 10-5 g/L | pH 7; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 1.6 x 10-4 g/L | pH 8; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 9.3 x 10-4 g/L | pH 9; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 3.6 x 10-3 g/L | pH 10; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 5.7 x 10-5 g/L | Ilma mhux Buffered pH 6.97; Temp: 25 °C | (1) ACD |
| Solubilità Intrinsika Molari | 5.8 x 10-8 mol/L | Temp: 25 °C | (1) ACD |
| Solubilità Molari | 5.5 x 10-5 mol/L | pH 1; Temp: 25 °C | (1) ACD |
| Solubilità Molari | 2.0 x 10-6 mol/L | pH 2; Temp: 25 °C | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| Solubilità Molari | 2.0 x 10-7 mol/L | pH 3; Temp: 25 °C | (1) ACD |
| Solubilità Molari | 6.4 x 10-8 mol/L | pH 4; Temp: 25 °C | (1) ACD |
| Solubilità Molari | 5.1 x 10-8 mol/L | pH 5; Temp: 25 °C | (1) ACD |
| Solubilità Molari | 5.1 x 10-8 mol/L | pH 6; Temp: 25 °C | (1) ACD |
| Solubilità Molari | 6.2 x 10-8 mol/L | pH 7; Temp: 25 °C | (1) ACD |
| Solubilità Molari | 1.7 x 10-7 mol/L | pH 8; Temp: 25 °C | (1) ACD |
| Solubilità Molari | 1.0 x 10-6 mol/L | pH 9; Temp: 25 °C | (1) ACD |
| Solubilità Molari | 3.9 x 10-6 mol/L | pH 10; Temp: 25 °C | (1) ACD |
| Solubilità Molari | 6.1 x 10-8 mol/L | Ilma mhux Buffered pH 6.97; Temp: 25 °C | (1) ACD |
| Piż Molekulari | 932.01 | ||
| pKa | 7.87±0.43 | L-aktar Temp Aċidiku: 25 °C | (1) ACD |
| pKa | 3.45±0.70 | L-aktar Temperatura Bażika: 25 °C | (1) ACD |
(1) Ikkalkulat bl-użu ta' Software għall-Iżvilupp tal-Kimika Avvanzata (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Proprjetà | Valur | Kundizzjoni | Sors |
| Bonds li Jduru liberament | 22 | (1) ACD | |
| H Aċċettaturi | 16 | (1) ACD | |
| H Donaturi | 1 | (1) ACD | |
| H Somma tad-Donatur/Aċċettatur | 17 | (1) ACD | |
| logP | 8.803±0.766 | Temp: 25 °C | (1) ACD |
| Piż Molekulari | 932.01 |
(1) Ikkalkulat bl-użu ta' Software għall-Iżvilupp tal-Kimika Avvanzata (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Proprjetà | Valur | Sors tal-Kundizzjoni |
| Żona tal-wiċċ Polari | 187 A2 | (1) ACD |
(1) Ikkalkulat bl-użu ta' Software għall-Iżvilupp tal-Kimika Avvanzata (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spettri disponibbli
1H NMR
13 C NMR
| Sors ta' Dikjarazzjoni ta' Periklu tal-Kodiċi | |
| H302 Jagħmel ħsara jekk jinbela' | Klassifikazzjoni u Tikkettjar tal-Aġenzija Ewropea għall-Kimika (ECHA). Inventarju - Klassifikazzjoni u tikkettar notifikati - l-aktar notifiki komuni, Aġenzija Ewropea għall-Kimika (ECHA) Inventarju ta' Klassifikazzjoni u Tikkettjar - Klassifikazzjoni u tikkettar notifikati - notifiki l-aktar serji |
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