![C44H49N5O7Si Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′- O-[(1,1-démheitileitil)démheitilsil]- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C44H49N5O7Si Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′- O-[(1,1-démheitiol)démheitilsil]- (9CI, ACI) Íomhá faoi Thrácht](https://cdn.globalso.com/nvchem/C44H49N5O7Si-Adenosine.jpg)
C44H49N5O7Si Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′- O-[(1,1-démheitileitil)démheitilsil]- (9CI, ACI)
| Príomh-Airíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 787.98 | - |
| Dlús (Tuartha) | 1.23±0.1 g/cm3 | Teocht: 20 °C;Brúigh: 760 Torr |
| pKa (Tuartha) | 7.87±0.43 | Teocht is Airde: 25 °C |
SMILES Canonical
O=C(NC1=NC=NC2=C1N=CN2C3OC(COC(C=4C=CC=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C (O)C3O[Si](C)(C)C(C)(C)C)C=7C=CC=CC7
SMILES Isiméireacha
C(OC[C@H]1O[C@H]([C@H](O[Si](C(C)(C)C)(C)C)[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/C44H49N5O7Si/c1-43(2,3)57(6,7)56-38-37(50)35(55-42(38)49-28-47-36-39(45-27- 46-40(36)49)48-41(51)29-14-10-8-11-15-2 9)26-54-44(30-16-12-9-13-17-30,31 -18-22-33(52-4)23-19-31)32-20-24-34(53-5)25-21-32/h8-25,27-28,35,37-38,42 ,50H,26H2,1-7H3,(H,
45,46,48,51)/t35-,37-,38-,42-/m1/s1
Eochair InChI
DAZIGOPASNJPCJ-GNECSJIWSA-N
2 Ainmneacha Eile don tSubstaint seo
N-Benzoyl-5′-O-[bis(4-methocsaifheinile)feanilmeitil]-2′-O-[(1,1-démheitiol)démheitilsil]adenosine (ACI);N6- Benzoyl-5′-O-(4,4′- démheitocsaitritile)-2′-O-(trí-bhúitildimethylsil)adenosine
Spectra ar fáil
1H NMR
Hetero NMR
| Airíonna ar fáil |
| Bitheolaíoch |
| Ceimiceach |
| Dlús |
| Lipinski |
| Struchtúr Gaolmhar |
Bitheolaíoch
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bithtiúchana | 1.00 x 106 | pH 1;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.00 x 106 | pH 2;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.00 x 106 | 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 | 1.00 x 106 | pH 8;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.00 x 106 | pH 9;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 5.41×105 | 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 | 2.01 x 106 | pH 1;Teocht: 25 °C | (1) ACD |
| Cóc | 6.87×106 | pH 2;Teocht: 25 °C | (1) ACD |
| Cóc | 9.08×106 | pH 3;Teocht: 25 °C | (1) ACD |
| Cóc | 9.38×106 | pH 4;Teocht: 25 °C | (1) ACD |
| Cóc | 9.39×106 | pH 5;Teocht: 25 °C | (1) ACD |
| Cóc | 9.19×106 | pH 6;Teocht: 25 °C | (1) ACD |
| Cóc | 7.53×106 | pH 7;Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Cóc | 2.73×106 | pH 8;Teocht: 25 °C | (1) ACD |
| Cóc | 4.48×105 | pH 9;Teocht: 25 °C | (1) ACD |
| Cóc | 1.31×105 | pH 10;Teocht: 25 °C | (1) ACD |
| logD | 9.62 | pH 1;Teocht: 25 °C | (1) ACD |
| logD | 10.15 | pH 2;Teocht: 25 °C | (1) ACD |
| logD | 10.27 | pH 3;Teocht: 25 °C | (1) ACD |
| logD | 10.29 | pH 4;Teocht: 25 °C | (1) ACD |
| logD | 10.29 | pH 5;Teocht: 25 °C | (1) ACD |
| logD | 10.28 | pH 6;Teocht: 25 °C | (1) ACD |
| logD | 10.19 | pH 7;Teocht: 25 °C | (1) ACD |
| logD | 9.75 | pH 8;Teocht: 25 °C | (1) ACD |
| logD | 8.97 | pH 9;Teocht: 25 °C | (1) ACD |
| logD | 8.43 | pH 10;Teocht: 25 °C | (1) ACD |
| logP | 10.291±0.708 | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Aifrinn | 1.1 x 10-6 g/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.8 x 10-6 g/L | pH 1;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.4 x 10-6 g/L | pH 2;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.1 x 10-6 g/L | pH 3;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.0 x 10-6 g/L | pH 4;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.0 x 10-6 g/L | pH 5;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.0 x 10-6 g/L | pH 6;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.3 x 10-6 g/L | pH 7;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 3.5 x 10-6 g/L | pH 8;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 2.2 x 10-5 g/L | pH 9;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 7.6 x 10-5 g/L | pH 10;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.3 x 10-6 g/L | Uisce Neamh-mhaolaithe pH 7.00;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Molar | 1.4 x 10-9 mol/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 6.1 x 10-9 mol/L | pH 1;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.8 x 10-9 mol/L | pH 2;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.4 x 10-9 mol/L | pH 3;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.3 x 10-9 mol/L | pH 4;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.3 x 10-9 mol/L | pH 5;Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Tuaslagthacht Molar | 1.3 x 10-9 mol/L | pH 6;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.6 x 10-9 mol/L | pH 7;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 4.5 x 10-9 mol/L | pH 8;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.8 x 10-8 mol/L | pH 9;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 9.6 x 10-8 mol/L | pH 10;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.6 x 10-9 mol/L | Uisce Neamh-mhaolaithe pH 7.00;Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 787.98 | ||
| 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 | 1.23±0.1 g/cm3 | Teocht: 20 °C;Brúigh: 760 Torr | (1) ACD |
| Toirt Molar | 639.5±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 | 14 | (1) ACD | |
| H Glacadóirí | 12 | (1) ACD | |
| H Deontóirí | 2 | (1) ACD | |
| H Suim Deontóra/Ghlacadóir | 14 | (1) ACD | |
| logP | 10.291±0.708 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 787.98 |
(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
13C NMR
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