[(4R,10aS,10bS)-9,9,10,10-tetrahydroxy-2,6-diimino-hexahydropyrrolo[1,2-c]purin-4-yl]methyl carbamate
AlkaPlorer ID: AK090545
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]methyl carbamate
Structure
SMILES: N=C1N[C@H]2[C@H](COC(=N)O)NC(=N)N3CC(O)(O)C(O)(O)[C@]23N1
InChI: InChI=1S/C10H17N7O6/c11-5-15-4-3(1-23-7(13)18)14-6(12)17-2-8(19,20)10(21,22)9(4,17)16-5/h3-4,19-22H,1-2H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t3-,4-,9-/m0/s1
InChIKey: AYQBNFCPVJEXBA-GWWBTZNMSA-N
Source
Properties Information
Molecule Weight: 331.28900000000004
TPSA？: 221.26
MolLogP？: -4.727789999999996
Number of H-Donors: 11
Number of H-Acceptors: 8
RingCount: 3
Activities Information
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