(4R,9S,10aS,10bS)-2,6-diimino-4-({[(sulfoamino)carbonyl]oxy}methyl)-hexahydro-1H-pyrrolo[1,2-c]purine-9,10,10-triol
AlkaPlorer ID: AK083411
Synonym: None
IUPAC Name: [(3aS,4R,9S,10aS)-2,6-diamino-9,10,10-trihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methoxycarbonylsulfamic acid
Structure
SMILES: N=C1N[C@H]2[C@H](COC(O)=NS(=O)(=O)O)NC(=N)N3C[C@H](O)C(O)(O)[C@]23N1
InChI: InChI=1S/C10H17N7O8S/c11-6-14-5-3(2-25-8(19)16-26(22,23)24)13-7(12)17-1-4(18)10(20,21)9(5,17)15-6/h3-5,18,20-21H,1-2H2,(H2,12,13)(H,16,19)(H3,11,14,15)(H,22,23,24)/t3-,4-,5-,9-/m0/s1
InChIKey: OWPNZRSEHXXIHR-LJRZAWCWSA-N
Source
Properties Information
Molecule Weight: 395.3540000000001
TPSA？: 243.91
MolLogP？: -4.823759999999996
Number of H-Donors: 10
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | Mus musculus | Activity | None | None | 10.1021/np800066r |