![C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-(2-methocsaitil)-, 3′ – [2-cianoethyl N,N-bis(1-meitileitil ) fosfaraimídít] (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-methocsaitil)-, 3′ – [2-cianoethyl N,N-bis(1-meitileitil ) fosfaraimídít] (ACI) Íomhá Réadmhaoin](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine.png)
C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-(2-methocsaitil)-, 3′ – [2-cianoethyl N,N-bis(1-meitileitil ) fosfaraimídít] (ACI)
Uimhir Chláraithe CAS
251647-53-7
H302
| Príomh-Airíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 932. 01 | - |
| pKa (Tuartha) | 7.87±0.43 | Teocht is Airde: 25 °C |
SMILES Canonical
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
SMILES Isiméireacha
C(OC[C@@H]1[C@H](OP(N(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
Eochair InChI
VPBYBQBHLYRLHG-HDMAWCRFSA-N
16 Ainmneacha Eile don tSubstaint seo
Adenóisín,N-benzoyl-5′ -O- [bis(4- meatocsaifeinil)feinilmeitil]-2′ -O-(2-methocsaieitil)-, 3′ - [2-cianoethyl bis(1-meitileitil)
fosfaramít] (9CI); 16: PN: US20030211606 LEATHANACH: 19 seicheamh éilithe; 16: PN: US20030212017 LEATHANACH: 20 seicheamh éilithe; 17: PN: US20040005569 LEATHANACH: 22 seicheamh éilithe; 19: PN: US20040006030 LEATHANACH: 23 seicheamh éilithe; 19: PN: US20040014047
LEATHANACH: 21 seicheamh éilithe; 19: PN: US20040014049 LEATHANACH: 21 seicheamh éilithe; 20: PN: US20040005570 LEATHANACH: 20 éileamh
seicheamh ; 20: PN: US20040014048 LEATHANACH: 21 seicheamh éilithe; 20: PN: US20040014050 LEATHANACH: 20 seicheamh éilithe; 21: PN: U
S20040005565 LEATHANACH: 17- 22 seicheamh éilithe; 21: PN: US20040014051 LEATHANACH: 23 seicheamh éilithe; 22: PN: US20040014699 LEATHANACH: 20 seicheamh éilithe; 23: PN: US20040006029 LEATHANACH: 23 seicheamh éilithe; 23: PN: WO03106645 LEATHANACH: 73 seicheamh éilithe; 94: P N: US20040005707 LEATHANACH: 20 seicheamh éilithe
Spectra ar fáil
1 H NMR
13 C NMR
Hetero NMR
Airíonna ar fáil
Bitheolaíoch
Ceimiceach
Lipinski
Struchtúr Gaolmhar
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bithtiúchana | 2680 | pH 1; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 71500 | pH 2; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 7.21×105 | pH 3; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.00 x 106 | pH 4; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.00 x 106 | pH 5; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.00 x 106 | pH 6; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.00 x 106 | pH 7; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 8.48×105 | pH 8; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.39×105 | pH 9; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 40300 | pH 10; Teocht: 25 °C | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Maoin | Luach | Coinníoll | Foinse |
| Cóc | 1360 | pH 1; Teocht: 25 °C | (1) ACD |
| Cóc | 36300 | pH 2; Teocht: 25 °C | (1) ACD |
| Cóc | 3.66×105 | pH 3; Teocht: 25 °C | (1) ACD |
| Cóc | 1.13×106 | pH 4; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Cóc | 1.42×106 | pH 5; Teocht: 25 °C | (1) ACD |
| Cóc | 1.42×106 | pH 6; Teocht: 25 °C | (1) ACD |
| Cóc | 1.17×106 | pH 7; Teocht: 25 °C | (1) ACD |
| Cóc | 4.30×105 | pH 8; Teocht: 25 °C | (1) ACD |
| Cóc | 70800 | pH 9; Teocht: 25 °C | (1) ACD |
| Cóc | 20500 | pH 10; Teocht: 25 °C | (1) ACD |
| logD | 5.77 | pH 1; Teocht: 25 °C | (1) ACD |
| logD | 7.20 | pH 2; Teocht: 25 °C | (1) ACD |
| logD | 8.20 | pH 3; Teocht: 25 °C | (1) ACD |
| logD | 8.69 | pH 4; Teocht: 25 °C | (1) ACD |
| logD | 8.79 | pH 5; Teocht: 25 °C | (1) ACD |
| logD | 8.79 | pH 6; Teocht: 25 °C | (1) ACD |
| logD | 8.71 | pH 7; Teocht: 25 °C | (1) ACD |
| logD | 8.27 | pH 8; Teocht: 25 °C | (1) ACD |
| logD | 7. 49 | pH 9; Teocht: 25 °C | (1) ACD |
| logD | 6.95 | pH 10; Teocht: 25 °C | (1) ACD |
| logP | 8.803±0.766 | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Aifrinn | 5.4 x 10-5 g/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.051 g/L | pH 1; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.9 x 10-3 g/L | pH 2; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.9 x 10-4 g/L | pH 3; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 6.0 x 10-5 g/L | pH 4; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.8 x 10-5 g/L | pH 5; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.8 x 10-5 g/L | pH 6; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 5.8 x 10-5 g/L | pH 7; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.6 x 10-4 g/L | pH 8; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 9.3 x 10-4 g/L | pH 9; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 3.6 x 10-3 g/L | pH 10; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 5.7 x 10-5 g/L | Uisce Neamh-mhaolaithe pH 6.97; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Molar | 5.8 x 10-8 mol/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 5.5 x 10-5 mol/L | pH 1; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.0 x 10-6 mol/L | pH 2; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Tuaslagthacht Molar | 2.0 x 10-7 mol/L | pH 3; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 6.4 x 10-8 mol/L | pH 4; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 5.1 x 10-8 mol/L | pH 5; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 5.1 x 10-8 mol/L | pH 6; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 6.2 x 10-8 mol/L | pH 7; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.7 x 10-7 mol/L | pH 8; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.0 x 10-6 mol/L | pH 9; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 3.9 x 10-6 mol/L | pH 10; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 6.1 x 10-8 mol/L | Uisce Neamh-mhaolaithe pH 6.97; Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 932. 01 | ||
| pKa | 7.87±0.43 | Teocht is Airde: 25 °C | (1) ACD |
| pKa | 3.45±0.70 | Teocht is Bunúsaí: 25 °C | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Maoin | Luach | Coinníoll | Foinse |
| Bannaí Rothlach Saor in Aisce | 22 | (1) ACD | |
| H Glacadóirí | 16 | (1) ACD | |
| H Deontóirí | 1 | (1) ACD | |
| H Suim Deontóra/Ghlacadóir | 17 | (1) ACD | |
| logP | 8.803±0.766 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 932. 01 |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Maoin | Luach | Foinse Coinníoll |
| Achar Dromchla Polar | 187 A2 | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra ar fáil
1 H NMR
13 C NMR
| Foinse Ráitis Ghuaise Cód | |
| H302 Dochrach má shlogtar é | An Ghníomhaireacht Eorpach Ceimiceán (ECHA) Aicmiú agus Lipéadú Fardal - Aicmiú agus lipéadú ar tugadh fógra ina leith - na fógraí is coitianta, An Ghníomhaireacht Eorpach Ceimiceán (ECHA) Fardal Aicmithe&Lipéadaithe - Aicmiú agus lipéadú fógartha - na fógraí is tromchúisí |
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