C38H37N3O8 Teu acan ditugaskeun
| Sipat fisik konci | Nilai | Kaayaan |
| Beurat Molekul | 663.72 | - |
| Kapadetan (diprediksi) | 1,304±0,06 g/cm3 | Suhu: 20 °C;Pencét: 760 Torr |
| pKa (diprediksi) | 8.27±0.10 | Suhu Paling Asam: 25 °C |
SMILES Canonical 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
Isomerik SMILES
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
InChI Key
NZBGRVLZISPURB-LBFZIJHGSA-N
| Pasipatan sadia |
| Biologis |
| Pasipatan sadia |
| Kimia |
| Kapadetan |
| Lipinski |
| Struktur Patali |
Biologis
| Harta | Nilai | Kaayaan | Sumber |
| Faktor Biokonsentrasi | 5250 | pH 1;Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 5250 | pH 2;Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 5260 | pH 3;Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 5260 | pH 4;Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 5250 | pH 5;Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 5200 | pH 6;Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 4720 | pH 7;Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 2460 | pH 8;Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 466 | pH 9;Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 96.9 | pH 10;Suhu: 25 °C | (1) ACD |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kimia
| Harta | Nilai | Kaayaan | Sumber |
| Koc | 16000 | pH 1;Suhu: 25 °C | (1) ACD |
| Koc | 16000 | pH 2;Suhu: 25 °C | (1) ACD |
| Koc | 16000 | pH 3;Suhu: 25 °C | (1) ACD |
| Koc | 16000 | pH 4;Suhu: 25 °C | (1) ACD |
| Koc | 16000 | pH 5;Suhu: 25 °C | (1) ACD |
| Koc | 15800 | pH 6;Suhu: 25 °C | (1) ACD |
| Koc | 14400 | pH 7;Suhu: 25 °C | (1) ACD |
| Koc | 7510 | pH 8;Suhu: 25 °C | (1) ACD |
| Koc | 1420 | pH 9;Suhu: 25 °C | (1) ACD |
| Koc | 296 | pH 10;Suhu: 25 °C | (1) ACD |
| logD | 5.20 | pH 1;Suhu: 25 °C | (1) ACD |
| logD | 5.20 | pH 2;Suhu: 25 °C | (1) ACD |
| logD | 5.20 | pH 3;Suhu: 25 °C | (1) ACD |
| Harta | Nilai | Kaayaan | Sumber |
| logD | 5.20 | pH 4;Suhu: 25 °C | (1) ACD |
| logD | 5.20 | pH 5;Suhu: 25 °C | (1) ACD |
| logD | 5.19 | pH 6;Suhu: 25 °C | (1) ACD |
| logD | 5.15 | pH 7;Suhu: 25 °C | (1) ACD |
| logD | 4.87 | pH 8;Suhu: 25 °C | (1) ACD |
| logD | 4.15 | pH 9;Suhu: 25 °C | (1) ACD |
| logD | 3.46 | pH 10;Suhu: 25 °C | (1) ACD |
| logP | 5.198±0.644 | Suhu: 25 °C | (1) ACD |
| Kalarutan Intrinsik Massa | 9,3 x 10-6 g/L | Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 9,3 x 10-6 g/L | pH 1;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 9,3 x 10-6 g/L | pH 2;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 9,3 x 10-6 g/L | pH 3;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 9,3 x 10-6 g/L | pH 4;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 9,3 x 10-6 g/L | pH 5;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 9,3 x 10-6 g/L | pH 6;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 1,1 x 10-5 g/L | pH 7;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 2,0 x 10-5 g/L | pH 8;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 1,1 x 10-4 g/L | pH 9;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 5,1 x 10-4 g/L | pH 10;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 1,1 x 10-5 g/L | Cai Unbuffered pH 7,00;Suhu: 25 °C | (1) ACD |
| Kalarutan Intrinsik Molar | 1,4 x 10-8 mol / L | Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,4 x 10-8 mol / L | pH 1;Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,4 x 10-8 mol / L | pH 2;Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,4 x 10-8 mol / L | pH 3;Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,4 x 10-8 mol / L | pH 4;Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,4 x 10-8 mol / L | pH 5;Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,4 x 10-8 mol / L | pH 6;Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,6 x 10-8 mol / L | pH 7;Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 3,0 x 10-8 mol/L | pH 8;Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,6 x 10-7 mol / L | pH 9;Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 7,7 x 10-7 mol/L | pH 10;Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,6 x 10-8 mol / L | Cai Unbuffered pH 7,00;Suhu: 25 °C | (1) ACD |
| Harta | Nilai | Kaayaan | Sumber |
| Beurat Molekul | 663.72 | ||
| pKa | 8.27±0.10 | Suhu Paling Asam: 25 °C | (1) ACD |
| pKa | -1,66±0,20 | Suhu Dasar: 25 °C | (1) ACD |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kapadetan
| Harta | Nilai | Kaayaan | Sumber |
| Kapadetan | 1,304±0,06 g/cm3 | Suhu: 20 °C;Pencét: 760 Torr | (1) ACD |
| Volume Molar | 508,6±3,0 cm3/mol | Suhu: 20 °C;Pencét: 760 Torr | (1) ACD |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Harta | Nilai | Kaayaan | Sumber |
| Bébas Rotatable Beungkeut | 13 | (1) ACD | |
| H Akséptor | 11 | (1) ACD | |
| H Donor | 3 | (1) ACD | |
| H Donor / Akséptor Jumlah | 14 | (1) ACD | |
| logP | 5.198±0.644 | Suhu: 25 °C | (1) ACD |
| Beurat Molekul | 663.72 |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Struktur Patali
| Harta | Nilai | Kaayaan | Sumber |
| Wewengkon Permukaan Polar | 136 A2 | (1) ACD | |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spéktra sadia
1H NMR
13C NMR
![C39H37N5O7 Adénosin, N-benzoil-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′- O-métil- (9CI, ACI)](https://cdn.globalso.com/nvchem/Substance-Detail-300x300.jpg)
![C21H21N3O6 Timidin, α – [(1-naftalenylmétil)amino]- α -oxo- (ACI)](https://cdn.globalso.com/nvchem/C21H21N3O6-Thymidine-300x300.png)
![C13H13NO5 1H-Pyrano[3,4-f]indolizine-3,6,10(4H)-trione, 4-étil-7,8-dihidro-4- hidroksi-, (4S)- (9CI, ACI) H319, H302](https://cdn.globalso.com/nvchem/C13H13NO5-1H-Pyrano-300x300.jpg)
![C45H56N7O9P Guanosin, 5′ -O- [bis(4-metoxyphenyl)phenylmethyl]-2′ -O-methyl- N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N,N-bis (1-métilétil) fosforamidit] (ACI)](https://cdn.globalso.com/nvchem/C45H56N7O9P-300x300.png)
![C53H66N7O8PSi NO CAS: 104992-55-4 Adénosin, N-benzoil-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O- [(1,1-dimétilétil)dimétilsilil]-, 3′ – [2-sianoetil N,N-bis(1-métilétil)...](https://cdn.globalso.com/nvchem/C53H66N7O8PSi-300x300.png)