1-[(2R,3S,4R,5R)-5-[({[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl phosphonato}oxy)methyl]-3,4-dihydroxyoxolan-2-yl]-2-carboxy-1λ⁵-pyridin-1-ylium
AlkaPlorer ID: AK325266
Synonym: None
IUPAC Name: None
Structure
SMILES: NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H]([N+]3=CC=CC=C3C(=O)O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O
InChI: InChI=1S/C21H26N6O15P2/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-4-2-1-3-9(26)21(32)33/h1-4,7-8,10-11,13-16,19-20,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/t10-,11-,13+,14-,15+,16-,19-,20-/m1/s1
InChIKey: YSSLTZFYVYSFMH-OLNQJMQYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Azotobacter vinelandii | Azotobacter | Pseudomonadaceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 664.4140000000006
TPSA？: 315.3
MolLogP？: -3.0485999999999973
Number of H-Donors: 7
Number of H-Acceptors: 18
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|