C38H37N3O8 Gan Sannta fós
| Príomh-Airíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 663.72 | - |
| Dlús (Tuartha) | 1.304±0.06 g/cm3 | Teocht: 20 °C;Brúigh: 760 Torr |
| pKa (Tuartha) | 8.27±0.10 | Teocht is Airde: 25 °C |
Canonical SMILES O=C1NC(=O)N(C=C1C(=O)NCC=2C=CC=CC2)C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5) )C6=CC=C(OC)C=C6)C(O)C3
SMILES Isiméireacha
C(OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C(NCC3=CC=CC=C3)=O)C(=O)NC2=O) (C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C 6
InchI
InChI=1S/C38H37N3O8/c1-46-29-17-13-27(14-18-29)38(26-11-7-4-8-12-26,28-15-19-30(47- 2) 20-16-28)48-24-33-32(42)21-34(49-33)4 1-23-31(36(44)40-37(41)45)35(43)39 -22-25-9-5-3-6-10-25/h3-20,23,32-34,42H,21-22,24H2,1-2H3,(H,39,43)(H,40 ,44,45)/t32-
,33+,34+/m0/s1
Eochair InChI
NZBGRVLZISPURB-LBFZIJHGSA-N
| Airíonna ar fáil |
| Bitheolaíoch |
| Airíonna ar fáil |
| Ceimiceach |
| Dlús |
| Lipinski |
| Struchtúr Gaolmhar |
Bitheolaíoch
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bithtiúchana | 5250 | pH 1;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 5250 | pH 2;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 5260 | pH 3;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 5260 | pH 4;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 5250 | pH 5;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 5200 | pH 6;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 4720 | pH 7;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 2460 | pH 8;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 466 | pH 9;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 96.9 | 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 | 16000 | pH 1;Teocht: 25 °C | (1) ACD |
| Cóc | 16000 | pH 2;Teocht: 25 °C | (1) ACD |
| Cóc | 16000 | pH 3;Teocht: 25 °C | (1) ACD |
| Cóc | 16000 | pH 4;Teocht: 25 °C | (1) ACD |
| Cóc | 16000 | pH 5;Teocht: 25 °C | (1) ACD |
| Cóc | 15800 | pH 6;Teocht: 25 °C | (1) ACD |
| Cóc | 14400 | pH 7;Teocht: 25 °C | (1) ACD |
| Cóc | 7510 | pH 8;Teocht: 25 °C | (1) ACD |
| Cóc | 1420 | pH 9;Teocht: 25 °C | (1) ACD |
| Cóc | 296 | pH 10;Teocht: 25 °C | (1) ACD |
| logD | 5.20 | pH 1;Teocht: 25 °C | (1) ACD |
| logD | 5.20 | pH 2;Teocht: 25 °C | (1) ACD |
| logD | 5.20 | pH 3;Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| logD | 5.20 | pH 4;Teocht: 25 °C | (1) ACD |
| logD | 5.20 | pH 5;Teocht: 25 °C | (1) ACD |
| logD | 5. 19 | pH 6;Teocht: 25 °C | (1) ACD |
| logD | 5.15 | pH 7;Teocht: 25 °C | (1) ACD |
| logD | 4.87 | pH 8;Teocht: 25 °C | (1) ACD |
| logD | 4.15 | pH 9;Teocht: 25 °C | (1) ACD |
| logD | 3. 46 | pH 10;Teocht: 25 °C | (1) ACD |
| logP | 5.198±0.644 | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Aifrinn | 9.3 x 10-6 g/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 9.3 x 10-6 g/L | pH 1;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 9.3 x 10-6 g/L | pH 2;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 9.3 x 10-6 g/L | pH 3;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 9.3 x 10-6 g/L | pH 4;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 9.3 x 10-6 g/L | pH 5;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 9.3 x 10-6 g/L | pH 6;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.1 x 10-5 g/L | pH 7;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 2.0 x 10-5 g/L | pH 8;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.1 x 10-4 g/L | pH 9;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 5.1 x 10-4 g/L | pH 10;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.1 x 10-5 g/L | Uisce Neamh-mhaolaithe pH 7.00;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Molar | 1.4 x 10-8 mol/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.4 x 10-8 mol/L | pH 1;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.4 x 10-8 mol/L | pH 2;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.4 x 10-8 mol/L | pH 3;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.4 x 10-8 mol/L | pH 4;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.4 x 10-8 mol/L | pH 5;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.4 x 10-8 mol/L | pH 6;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.6 x 10-8 mol/L | pH 7;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 3.0 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 | 7.7 x 10-7 mol/L | pH 10;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.6 x 10-8 mol/L | Uisce Neamh-mhaolaithe pH 7.00;Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Meáchan Móilíneach | 663.72 | ||
| pKa | 8.27±0.10 | Teocht is Airde: 25 °C | (1) ACD |
| pKa | -1.66±0.20 | 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 | 1.304±0.06 g/cm3 | Teocht: 20 °C;Brúigh: 760 Torr | (1) ACD |
| Toirt Molar | 508.6±3.0 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 | 13 | (1) ACD | |
| H Glacadóirí | 11 | (1) ACD | |
| H Deontóirí | 3 | (1) ACD | |
| H Suim Deontóra/Ghlacadóir | 14 | (1) ACD | |
| logP | 5.198±0.644 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 663.72 |
(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 | 136 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
![C39H37N5O7 Adenosine, N-benzoyl-5′-O-[bis(4-methocsaifeinil)feanilmeitil]-2′- O-meitil- (9CI, ACI)](https://cdn.globalso.com/nvchem/Substance-Detail-300x300.jpg)
![C21H21N3O6 Timidín, α – [(1-naftaileanilmeitil)aimín]- α -oxo- (ACI)](https://cdn.globalso.com/nvchem/C21H21N3O6-Thymidine-300x300.png)
![C13H13NO5 1H-Pirano[3,4-f]indolizine-3,6,10(4H)-tríón, 4-eitil-7,8-dé-hidr-4- hiodrocsa-, (4S)- (9CI, ACI) H319, H302](https://cdn.globalso.com/nvchem/C13H13NO5-1H-Pyrano-300x300.jpg)
![Guanóisín C45H56N7O9P, 5′ -O- [bis(4-methocsaifeinil)feanilmheitil]-2′ -O-meitil- N-(2-meitil-1-ocsaeapróipil)-, 3′ – [2-cianeatáile N,N-bis (1-meitileitil) fosfaraimídít] (ACI)](https://cdn.globalso.com/nvchem/C45H56N7O9P-300x300.png)
![C53H66N7O8PSi NÍL CAS: 104992-55-4 Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O- [(1,1-démheitile)démheitil-sil]-, 3′ – [2-chianoethyl N,N-bis(1- meitiailile)...](https://cdn.globalso.com/nvchem/C53H66N7O8PSi-300x300.png)