C38H37N3O8 Noch net tawiisd
| Wichtige fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 663.72 | - |
| Dichtheid (foarsein) | 1.304±0.06 g/cm3 | Temp: 20 °C; Druk: 760 Torr |
| pKa (Foarsein) | 8.27±0.10 | Soerste temperatuer: 25 °C |
Kanonike 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
Isomere 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=C6
YnChI
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,42,5,0,3)/39,5
,33+,34+/m0/s1
InChI-kaai
NZBGRVLZISPURB-LBFZIJHGSA-N
| Beskikbere eigenskippen |
| Biologysk |
| Beskikbere eigenskippen |
| Gemysk |
| Dichtheid |
| Lipinski |
| Struktuer relatearre |
Biologysk
| Besit | Wearde | Betingst | Boarne |
| Biokonsintraasjefaktor | 5250 | pH 1; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 5250 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 5260 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 5260 | pH 4; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 5250 | pH 5; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 5200 | pH 6; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 4720 | pH 7; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 2460 | pH 8; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 466 | pH 9; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 96.9 | pH 10; Temperatuer: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Gemysk
| Besit | Wearde | Betingst | Boarne |
| Koc | 16000 | pH 1; Temperatuer: 25 °C | (1) ACD |
| Koc | 16000 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Koc | 16000 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Koc | 16000 | pH 4; Temperatuer: 25 °C | (1) ACD |
| Koc | 16000 | pH 5; Temperatuer: 25 °C | (1) ACD |
| Koc | 15800 | pH 6; Temperatuer: 25 °C | (1) ACD |
| Koc | 14400 | pH 7; Temperatuer: 25 °C | (1) ACD |
| Koc | 7510 | pH 8; Temperatuer: 25 °C | (1) ACD |
| Koc | 1420 | pH 9; Temperatuer: 25 °C | (1) ACD |
| Koc | 296 | pH 10; Temperatuer: 25 °C | (1) ACD |
| logD | 5.20 | pH 1; Temperatuer: 25 °C | (1) ACD |
| logD | 5.20 | pH 2; Temperatuer: 25 °C | (1) ACD |
| logD | 5.20 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| logD | 5.20 | pH 4; Temperatuer: 25 °C | (1) ACD |
| logD | 5.20 | pH 5; Temperatuer: 25 °C | (1) ACD |
| logD | 5.19 | pH 6; Temperatuer: 25 °C | (1) ACD |
| logD | 5.15 | pH 7; Temperatuer: 25 °C | (1) ACD |
| logD | 4.87 | pH 8; Temperatuer: 25 °C | (1) ACD |
| logD | 4.15 | pH 9; Temperatuer: 25 °C | (1) ACD |
| logD | 3.46 | pH 10; Temperatuer: 25 °C | (1) ACD |
| logP | 5.198±0.644 | Temperatuer: 25 °C | (1) ACD |
| Massa yntrinsike oplosberens | 9,3 x 10-6 g/L | Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 9,3 x 10-6 g/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 9,3 x 10-6 g/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 9,3 x 10-6 g/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 9,3 x 10-6 g/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 9,3 x 10-6 g/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 9,3 x 10-6 g/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,1 x 10-5 g/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 2,0 x 10-5 g/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,1 x 10-4 g/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 5,1 x 10-4 g/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,1 x 10-5 g/L | Unbufferd wetter pH 7.00; Temp: 25 °C | (1) ACD |
| Molêre yntrinsike oplosberens | 1,4 x 10-8 mol/L | Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,4 x 10-8 mol/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,4 x 10-8 mol/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,4 x 10-8 mol/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,4 x 10-8 mol/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,4 x 10-8 mol/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,4 x 10-8 mol/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,6 x 10-8 mol/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 3,0 x 10-8 mol/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,6 x 10-7 mol/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 7,7 x 10-7 mol/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,6 x 10-8 mol/L | Unbufferd wetter pH 7.00; Temp: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Molekulêr gewicht | 663.72 | ||
| pKa | 8.27±0.10 | Soerste temperatuer: 25 °C | (1) ACD |
| pKa | -1.66±0.20 | Meast basistemperatuer: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Dichtheid
| Besit | Wearde | Betingst | Boarne |
| Dichtheid | 1.304±0.06 g/cm3 | Temp: 20 °C; Druk: 760 Torr | (1) ACD |
| Molêr folume | 508,6 ± 3,0 cm3/mol | Temp: 20 °C; Druk: 760 Torr | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Besit | Wearde | Betingst | Boarne |
| Frij rotearbere obligaasjes | 13 | (1) ACD | |
| H-akseptors | 11 | (1) ACD | |
| H Donateurs | 3 | (1) ACD | |
| H Donor/Akseptor Som | 14 | (1) ACD | |
| logP | 5.198±0.644 | Temperatuer: 25 °C | (1) ACD |
| Molekulêr gewicht | 663.72 |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Struktuer relatearre
| Besit | Wearde | Betingst | Boarne |
| Poaloerflak | 136 A2 | (1) ACD | |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spektra beskikber
1H NMR
13C NMR
![C10H12N2O5 6H-Furo[2′,3′:4,5]oksazolo[3,2-a]pyrimidine-6-on, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-, (2R,3R,3aS,9aR)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C10H12N2O5-6H-Furo-300x300.jpg)
![C50H58N7O9P Adenosine, N-benzoyl-5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′ – O-(2-metoksytyl)-, 3′ – [2-cyanoetyl N,N-bis(1-metyletyl)fosforamidyt] (ACI)](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine-300x300.png)
![C41H51N5O8Si Guanosine, 5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′-O-[(1,1-dimethyletyl)dimethylsilyl]-N-(2-metyl-1-oksopropyl)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C41H51N5O8Si-Guanosine-300x300.jpg)
![C45H56N7O9P Guanosine, 5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′-O-metyl-N-(2-metyl-1-oksopropyl)-, 3′-[2-cyanoethyl N,N-bis(1-metylethyl)fosforamidyt] (ACI)](https://cdn.globalso.com/nvchem/C45H56N7O9P-300x300.png)