C42H39N3O8 Gan Sannta fós
| Príomh-Airíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 713.78 | - |
| Dlús (Tuartha) | 1.315±0.06 g/cm3 | Teocht: 20 °C;Brúigh: 760 Torr |
| pKa (Tuartha) | 8.23±0.10 | Teocht is Airde: 25 °C |
Canonical SMILES O=C1NC(=O)N(C=C1C(=O)NCC2=CC=CC=3C=CC=CC32)C4OC(COC(C=5C=CC=CC=CC5)(C6=CC=C(OC) )C=C6)C7=CC=C(OC)C=C7)C(O)C4
SMILES Isiméireacha
C(OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C(NCC=3C4=C(C=CC3)C=CC=C4)=O)C (=O)NC2=O)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C 7=CC=CC=C7
InchI
InChI=1S/C42H39N3O8/c1-50-32-19-15-30(16-20-32)42(29-12-4-3-5-13-29,31-17-21-33(51- 2) 22-18-31)52-26-37-36(46)23-38(53-37)4 5-25-35(40(48)44-41(45)49)39(47)43 -24-28-11-8-10-27-9-6-7-14-34(27)28/h3-22,25,36-38,46H,23-24,26H2,1-2H3,( H,43,47) (H,44,48,49)/t36-,37+,38+/m0/s1
Eochair InChI
HDUMRQQRYJOBFS-YXWIYCFASA-N
| Airíonna ar fáil |
| Bitheolaíoch |
| Airíonna ar fáil |
| Ceimiceach |
| Dlús |
| Lipinski |
| Struchtúr Gaolmhar |
Bitheolaíoch
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bithtiúchana | 41700 | pH 1;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 41700 | pH 2;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 41700 | pH 3;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 41700 | pH 4;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 41700 | pH 5;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 41200 | pH 6;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 36900 | pH 7;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 18100 | pH 8;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 3290 | pH 9;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 718 | 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 | 70600 | pH 1;Teocht: 25 °C | (1) ACD |
| Cóc | 70600 | pH 2;Teocht: 25 °C | (1) ACD |
| Cóc | 70600 | pH 3;Teocht: 25 °C | (1) ACD |
| Cóc | 70600 | pH 4;Teocht: 25 °C | (1) ACD |
| Cóc | 70500 | pH 5;Teocht: 25 °C | (1) ACD |
| Cóc | 69700 | pH 6;Teocht: 25 °C | (1) ACD |
| Cóc | 62400 | pH 7;Teocht: 25 °C | (1) ACD |
| Cóc | 30600 | pH 8;Teocht: 25 °C | (1) ACD |
| Cóc | 5560 | pH 9;Teocht: 25 °C | (1) ACD |
| Cóc | 1210 | pH 10;Teocht: 25 °C | (1) ACD |
| logD | 6.38 | pH 1;Teocht: 25 °C | (1) ACD |
| logD | 6.38 | pH 2;Teocht: 25 °C | (1) ACD |
| logD | 6.38 | pH 3;Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| logD | 6.38 | pH 4;Teocht: 25 °C | (1) ACD |
| logD | 6.38 | pH 5;Teocht: 25 °C | (1) ACD |
| logD | 6.38 | pH 6;Teocht: 25 °C | (1) ACD |
| logD | 6.33 | pH 7;Teocht: 25 °C | (1) ACD |
| logD | 6. 02 | pH 8;Teocht: 25 °C | (1) ACD |
| logD | 5.28 | pH 9;Teocht: 25 °C | (1) ACD |
| logD | 4.62 | pH 10;Teocht: 25 °C | (1) ACD |
| logP | 6.382±0.644 | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Aifrinn | 5.1 x 10-7 g/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 5.1 x 10-7 g/L | pH 1;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 5.1 x 10-7 g/L | pH 2;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 5.1 x 10-7 g/L | pH 3;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 5.1 x 10-7 g/L | pH 4;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 5.1 x 10-7 g/L | pH 5;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 5.1 x 10-7 g/L | pH 6;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 5.7 x 10-7 g/L | pH 7;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.1 x 10-6 g/L | pH 8;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 6.4 x 10-6 g/L | pH 9;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 2.9 x 10-5 g/L | pH 10;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 5.7 x 10-7 g/L | Uisce Neamh-mhaolaithe pH 7.00;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Molar | 7.1 x 10-10 mol/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 7.1 x 10-10 mol/L | pH 1;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 7.1 x 10-10 mol/L | pH 2;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 7.1 x 10-10 mol/L | pH 3;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 7.1 x 10-10 mol/L | pH 4;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 7.1 x 10-10 mol/L | pH 5;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 7.2 x 10-10 mol/L | pH 6;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 8.0 x 10-10 mol/L | pH 7;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.6 x 10-9 mol/L | pH 8;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 9.0 x 10-9 mol/L | pH 9;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 4.1 x 10-8 mol/L | pH 10;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 8.0 x 10-10 mol/L | Uisce Neamh-mhaolaithe pH 7.00;Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Meáchan Móilíneach | 713.78 | ||
| pKa | 8.23±0.10 | Teocht is Airde: 25 °C | (1) ACD |
| pKa | -1.90±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 | 1.315±0.06 g/cm3 | Teocht: 20 °C;Brúigh: 760 Torr | (1) ACD |
| Toirt Molar | 542.7±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 | 6.382±0.644 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 713.78 |
(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
![C41H43N3O9 Cítídín, N-benzoyl-5′-O-[bis(4-methocsaifheinile)feanilmheitil]-2′-O- (2-meatocsaitil)-5-meitil- (9CI, ACI) H335, H319, H315](https://cdn.globalso.com/nvchem/C41H43N3O9-Cytidine-300x300.jpg)
![C21H21N3O6 Timidín, α – [(1-naftaileanilmeitil)aimín]- α -oxo- (ACI)](https://cdn.globalso.com/nvchem/C21H21N3O6-Thymidine-300x300.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)](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine-300x300.png)
![C39H37N5O7 Adenosine, N-benzoyl-5′-O-[bis(4-methocsaifeinil)feanilmeitil]-2′- O-meitil- (9CI, ACI)](https://cdn.globalso.com/nvchem/Substance-Detail-300x300.jpg)
![C30H30N2O8 Uridín, 5′-O-[bis(4-methocsaifeinil)feanilmheitil]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C30H30N2O8-Uridine-300x300.jpg)
![C30H28N2O7 6H- Furo[2′,3′:4,5]oxazolo[3,2-a]pirimidin-6-a haon, 2-[[bis(4-methocsa feinil)feanilmethocsa]meitil]-2,3,3a ,9a-teitrihidre-3-hiodrocsa-, (2R,3R,3aS,9aR)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo-300x300.jpg)