[(4R,9S,10aS,10bS)-2-amino-4-[(carbamoyloxy)methyl]-5,10,10-trihydroxy-6-imino-1H,4H,8H,9H,10bH-pyrrolo[1,2-c]purin-9-yl]oxidanesulfonic acid
AlkaPlorer ID: AK352844
Synonym: None
IUPAC Name: [(3aS,4R,9R)-2-amino-5,10,10-trihydroxy-6-imino-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
Structure
SMILES: N=C1N[C@H]2[C@H](COC(=N)O)N(O)C(=N)N3C[C@@H](OS(=O)(=O)O)C(O)(O)C23N1
InChI: InChI=1S/C10H17N7O9S/c11-6-14-5-3(2-25-8(13)18)17(21)7(12)16-1-4(26-27(22,23)24)10(19,20)9(5,16)15-6/h3-5,12,19-21H,1-2H2,(H2,13,18)(H3,11,14,15)(H,22,23,24)/t3-,4+,5-,9?/m0/s1
InChIKey: CETRDCWBMBILAL-ORQQJGPTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mizuhopecten yessoensis | Mizuhopecten | Pectinidae | Pectinida | Bivalvia | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 411.3530000000001
TPSA？: 255.84
MolLogP？: -4.119089999999996
Number of H-Donors: 10
Number of H-Acceptors: 10
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|