![C39H37N5O7 Adenosine, N-benzoyl-5′-O-[bis(4-methocsaifeinil)feanilmeitil]-2′- O-meitil- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C39H37N5O7 Adenosine, N-benzoyl-5′-O-[bis(4-methocsaifheinile)feinilmeitil]-2′- O-meitil- (9CI, ACI) Íomhá Réadmhaoin](https://cdn.globalso.com/nvchem/Substance-Detail.jpg)
C39H37N5O7 Adenosine, N-benzoyl-5′-O-[bis(4-methocsaifeinil)feanilmeitil]-2′- O-meitil- (9CI, ACI)
| Príomh-Airíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 687.74 | - |
| Dlús (Tuartha) | 1.32±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)C3OC)C=7C=CC=CC7
SMILES Isiméireacha
C(OC[C@H]1O[C@H]([C@H](OC)[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/C39H37N5O7/c1-47-29-18-14-27(15-19-29)39(26-12-8-5-9-13-26,28-16-20-30(48- 2) 21-17-28)50-22-31-33(45)34(49-3)38(51- 31)44-24-42-32-35(40-23-41-36(32) 44)43-37(46)25-10-6-4-7-11-25/h4-21,23-24,31,33-34,38,45H,22H2,1-3H3,(H,40 ,41,43,46)/t31-,33-,
34-,38-/m1/s1
Eochair InChI
SARDDAQOZNKZCC-CJEGOSRCSA-N
1 Ainm Eile don tSubstaint seo
N-Beinsil-5′-O-[bis(4-methocsaifeinil)feanilmeitil]-2′-O-meitiladenosine (ACI)
Spectra ar fáil
1H NMR
13C NMR
Aifreann
Airíonna ar fáil
Bitheolaíoch
Ceimiceach
Dlús
Lipinski
Struchtúr Gaolmhar
Bitheolaíoch
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bithtiúchana | 47800 | pH 1;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.63×105 | pH 2;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 2.16×105 | pH 3;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 2.23 x 105 | pH 4;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 2.23 x 105 | pH 5;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 2.18×105 | pH 6;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.79×105 | pH 7;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 64900 | pH 8;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 10600 | pH 9;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 3110 | 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 | 50200 | pH 1;Teocht: 25 °C | (1) ACD |
| Cóc | 1.71×105 | pH 2;Teocht: 25 °C | (1) ACD |
| Cóc | 2.26×105 | pH 3;Teocht: 25 °C | (1) ACD |
| Cóc | 2.34×105 | pH 4;Teocht: 25 °C | (1) ACD |
| Cóc | 2.34×105 | pH 5;Teocht: 25 °C | (1) ACD |
| Cóc | 2.29×105 | pH 6;Teocht: 25 °C | (1) ACD |
| Cóc | 1.88×105 | pH 7;Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Cóc | 68000 | pH 8;Teocht: 25 °C | (1) ACD |
| Cóc | 11200 | pH 9;Teocht: 25 °C | (1) ACD |
| Cóc | 3260 | pH 10;Teocht: 25 °C | (1) ACD |
| logD | 6.67 | pH 1;Teocht: 25 °C | (1) ACD |
| logD | 7.21 | pH 2;Teocht: 25 °C | (1) ACD |
| logD | 7.33 | pH 3;Teocht: 25 °C | (1) ACD |
| logD | 7.34 | pH 4;Teocht: 25 °C | (1) ACD |
| logD | 7.34 | pH 5;Teocht: 25 °C | (1) ACD |
| logD | 7.33 | pH 6;Teocht: 25 °C | (1) ACD |
| logD | 7.25 | pH 7;Teocht: 25 °C | (1) ACD |
| logD | 6.80 | pH 8;Teocht: 25 °C | (1) ACD |
| logD | 6. 02 | pH 9;Teocht: 25 °C | (1) ACD |
| logD | 5. 49 | pH 10;Teocht: 25 °C | (1) ACD |
| logP | 7.344±0.723 | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Aifrinn | 2.7 x 10-6 g/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.2 x 10-5 g/L | pH 1;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 3.7 x 10-6 g/L | pH 2;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 2.8 x 10-6 g/L | pH 3;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 2.8 x 10-6 g/L | pH 4;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 2.8 x 10-6 g/L | pH 5;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 2.8 x 10-6 g/L | pH 6;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 3.4 x 10-6 g/L | pH 7;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 9.6 x 10-6 g/L | pH 8;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 5.7 x 10-5 g/L | pH 9;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.9 x 10-4 g/L | pH 10;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 3.4 x 10-6 g/L | Uisce Neamh-mhaolaithe pH 7.00;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Molar | 3.9 x 10-9 mol/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.8 x 10-8 mol/L | pH 1;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 5.4 x 10-9 mol/L | pH 2;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 4.1 x 10-9 mol/L | pH 3;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 4.0 x 10-9 mol/L | pH 4;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 4.0 x 10-9 mol/L | pH 5;Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Tuaslagthacht Molar | 4.0 x 10-9 mol/L | pH 6;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 4.9 x 10-9 mol/L | pH 7;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.4 x 10-8 mol/L | pH 8;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 8.3 x 10-8 mol/L | pH 9;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.8 x 10-7 mol/L | pH 10;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 4.9 x 10-9 mol/L | Uisce Neamh-mhaolaithe pH 7.00;Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 687.74 | ||
| 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 | 1.32±0.1 g/cm3 | Teocht: 20 °C;Brúigh: 760 Torr | (1) ACD |
| Toirt Molar | 518.5±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 | 12 | (1) ACD | |
| H Glacadóirí | 12 | (1) ACD | |
| H Deontóirí | 2 | (1) ACD | |
| H Suim Deontóra/Ghlacadóir | 14 | (1) ACD | |
| logP | 7.344±0.723 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 687.74 |
(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 | 139 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
Spectra ar fáil
13C NMR
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