![C41H41N5O8 Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′- O-(2-methoxyethyl)- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H41N5O8 Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′- O-(2-methocsaieitil)- (9CI, ACI) Íomhá Réadmhaoin](https://cdn.globalso.com/nvchem/C41H41N5O8-Adenosine.jpg)
C41H41N5O8 Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′- O-(2-methoxyethyl)- (9CI, ACI)
| Príomh-Airíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 731.79 | - |
| Leáphointe (Turgnamhach) | 119-121 °C | - |
| Dlús (Tuartha) | 1.31±0.1 g/cm3 | Teocht: 20 °C; Brúigh: 760 Torr |
| pKa (Tuartha) | 7.87±0.43 | Teocht is Airde: 25 °C |
Canonical SMILES O=C(NC1=NC=NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6) )C(O)C3OCCOC)C=7C=CC=CC7
SMILES Isiméireacha
C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)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/C41H41N5O8/c1-49-22-23-52-36-35(47)33(54-40(36)46-26-44-34-37(42-25-43-38(34)) 46)45-39(48)27-10-6-4-7-11-27)24-53- 41(28-12-8-5-9-13-28,29-14-18-31( 50-2)19-15-29)30-16-20-32(51-3)21-17-30/h4-21,25-26,33,35-36,40,47H,22-24H2, 1-3H3, (H,42,43,45,48)/t33-,35-,36-,40-/m1/s1
Eochair InChI
KEVMXGNDTKPSMC-MUMPVVMASA-N
16 Ainmneacha Eile don tSubstaint seo
N-Benzoyl-5′-O-[bis(4-methocsaifheinile)feinilmeitil]-2′-O-(2-methocsaieitil)adenosine (ACI); 17: PN: US20030211606 LEATHANACH: 19 seicheamh éilithe; 18: PN: US20040005569 LEATHANACH: 22 seicheamh éilithe; 20: PN: US20040006030 LEATHANACH: 23 seicheamh éilithe; 20: PN: US20040014047 LEATHANACH: 21 seicheamh éilithe; 20: PN: US20040014049 LEATHANACH: 21 seicheamh éilithe; 21: PN: US20040005570 PAG
E: seicheamh éilithe 20; 21: PN: US20040014048 LEATHANACH: 21 seicheamh éilithe; 21: PN: US20040014050 LEATHANACH: 20 seicheamh éilithe; 22: PN: US20040005565 LEATHANACH: 17- 22 seicheamh éilithe; 22: PN: US20040014051 LEATHANACH: 23 seicheamh éilithe; 23: PN: US20040 014699 LEATHANACH: 20 seicheamh éilithe; 24: PN: US20040006029 LEATHANACH: 23 seicheamh éilithe; 24: PN: WO03106645 LEATHANACH: 73 seicheamh éilithe; 5′-Dimethoxytrityl-2′-O-(2-Methoxyethyl)-N6-benzoyl adenosine; 95: PN: US20040005707 LEATHANACH: 20 seicheamh éileamh
| Airíonna ar fáil |
| Teirmeach |
Teirmeach
| Maoin | Luach | Coinníoll | Foinse |
| Leáphointe | 119-121 °C | (1) CAS | |
(1) Penjarla, Srishylam; Núicléasídí, Núicléatídí & Aigéid Núicléacha, (2018), 37(4), 232-247, CAplus
Spectra ar fáil
1H NMR
13C NMR
| Airíonna ar fáil |
| Bitheolaíoch |
| Ceimiceach |
| Dlús |
| Lipinski |
| Struchtúr Gaolmhar |
Bitheolaíoch
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bithtiúchana | 31700 | pH 1; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.08×105 | pH 2; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.43×105 | pH 3; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.48×105 | pH 4; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.48×105 | pH 5; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.45×105 | pH 6; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.19×105 | pH 7; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 43000 | pH 8; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 7050 | pH 9; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bithtiúchana | 2060 | 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)
Ceimiceach
| Maoin | Luach | Coinníoll | Foinse |
| Cóc | 37400 | pH 1; Teocht: 25 °C | (1) ACD |
| Cóc | 1.28×105 | pH 2; Teocht: 25 °C | (1) ACD |
| Cóc | 1.69×105 | pH 3; Teocht: 25 °C | (1) ACD |
| Cóc | 1.74×105 | pH 4; Teocht: 25 °C | (1) ACD |
| Cóc | 1.74×105 | pH 5; Teocht: 25 °C | (1) ACD |
| Cóc | 1.71×105 | pH 6; Teocht: 25 °C | (1) ACD |
| Cóc | 1.40×105 | pH 7; Teocht: 25 °C | (1) ACD |
| Cóc | 50700 | pH 8; Teocht: 25 °C | (1) ACD |
| Cóc | 8320 | pH 9; Teocht: 25 °C | (1) ACD |
| Cóc | 2430 | pH 10; Teocht: 25 °C | (1) ACD |
| logD | 6.44 | pH 1; Teocht: 25 °C | (1) ACD |
| logD | 6.97 | pH 2; Teocht: 25 °C | (1) ACD |
| logD | 7. 09 | pH 3; Teocht: 25 °C | (1) ACD |
| logD | 7. 11 | pH 4; Teocht: 25 °C | (1) ACD |
| logD | 7. 11 | pH 5; Teocht: 25 °C | (1) ACD |
| logD | 7.10 | pH 6; Teocht: 25 °C | (1) ACD |
| logD | 7. 01 | pH 7; Teocht: 25 °C | (1) ACD |
| logD | 6.57 | pH 8; Teocht: 25 °C | (1) ACD |
| logD | 5.78 | pH 9; Teocht: 25 °C | (1) ACD |
| logD | 5.25 | pH 10; Teocht: 25 °C | (1) ACD |
| logP | 7.109±0.766 | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Aifrinn | 5.6 x 10-6 g/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 2.6 x 10-5 g/L | pH 1; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 7.3 x 10-6 g/L | pH 2; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 5.8 x 10-6 g/L | pH 3; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 5.6 x 10-6 g/L | pH 4; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 5.6 x 10-6 g/L | pH 5; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 5.7 x 10-6 g/L | pH 6; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 7.0 x 10-6 g/L | pH 7; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Tuaslagthacht Aifreann | 1.9 x 10-5 g/L | pH 8; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.2 x 10-4 g/L | pH 9; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.0 x 10-4 g/L | pH 10; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 7.0 x 10-6 g/L | Uisce Neamh-mhaolaithe pH 7.00; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Molar | 7.6 x 10-9 mol/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 3.6 x 10-8 mol/L | pH 1; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.0 x 10-8 mol/L | pH 2; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 7.9 x 10-9 mol/L | pH 3; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 7.7 x 10-9 mol/L | pH 4; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 7.7 x 10-9 mol/L | pH 5; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 7.8 x 10-9 mol/L | pH 6; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 9.6 x 10-9 mol/L | pH 7; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.6 x 10-8 mol/L | pH 8; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.6 x 10-7 mol/L | pH 9; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 5.5 x 10-7 mol/L | pH 10; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 9.5 x 10-9 mol/L | Uisce Neamh-mhaolaithe pH 7.00; Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 731.79 | ||
| pKa | 7.87±0.43 | Teocht is Airde: 25 °C | (1) ACD |
| pKa | 1.39±0.10 | 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)
Dlús
| Maoin | Luach | Coinníoll | Foinse |
| Dlús | 1.31±0.1 g/cm3 | Teocht: 20 °C; Brúigh: 760 Torr | (1) ACD |
| Toirt Molar | 556.9±7.0 cm3/mól | Teocht: 20 °C; Brúigh: 760 Torr | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Maoin | Luach | Coinníoll | Foinse |
| Bannaí Rothlach Saor in Aisce | 15 | (1) ACD | |
| H Glacadóirí | 13 | (1) ACD | |
| H Deontóirí | 2 | (1) ACD | |
| H Suim Deontóra/Ghlacadóir | 15 | (1) ACD | |
| Maoin | Luach | Coinníoll | Foinse |
| logP | 7.109±0.766 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 731.79 |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struchtúr Gaolmhar
| Maoin | Luach | Coinníoll | Foinse |
| Achar Dromchla Polar | 148 A2 | (1) ACD | |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra ar fáil
1H NMR
13C NMR
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