(4R,10aS,10bS)-2,6-diimino-4-({[(sulfoamino)carbonyl]oxy}methyl)-hexahydropyrrolo[1,2-c]purine-9,9,10,10-tetrol
AlkaPlorer ID: AK090542
Synonym: None
IUPAC Name: [(3aS,4R,10aS)-2,6-diamino-9,9,10,10-tetrahydroxy-1,3a,4,8-tetrahydropyrrolo[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)N3CC(O)(O)C(O)(O)[C@]23N1
InChI: InChI=1S/C10H17N7O9S/c11-5-14-4-3(1-26-7(18)16-27(23,24)25)13-6(12)17-2-8(19,20)10(21,22)9(4,17)15-5/h3-4,19-22H,1-2H2,(H2,12,13)(H,16,18)(H3,11,14,15)(H,23,24,25)/t3-,4-,9-/m0/s1
InChIKey: GEQVLVSQKTUBFK-GWWBTZNMSA-N
Source
Properties Information
Molecule Weight: 411.3530000000001
TPSA？: 264.14
MolLogP？: -5.503759999999995
Number of H-Donors: 11
Number of H-Acceptors: 9
RingCount: 3
Activities Information
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