(3aS,7aR)-4-benzyl-1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3aH,7aH-[1,2,3]triazolo[4,5-b]pyridin-5-one
AlkaPlorer ID: AK271476
Synonym: None
IUPAC Name: (3aR,7aR)-4-benzyl-1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3a,7a-dihydrotriazolo[4,5-b]pyridin-5-one
Structure
SMILES: O=C1C=C[C@@H]2[C@@H](N=NN2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)N1CC1=CC=CC=C1
InChI: InChI=1S/C17H20N4O5/c22-9-12-14(24)15(25)17(26-12)21-11-6-7-13(23)20(16(11)18-19-21)8-10-4-2-1-3-5-10/h1-7,11-12,14-17,22,24-25H,8-9H2/t11-,12+,14-,15-,16+,17-/m1/s1
InChIKey: XGHLLTHTHPIOQB-QQEBABPVSA-N
Reference
PubChem CID: 163094055
Source
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Properties Information
Molecule Weight: 360.3700000000001
TPSA？: 118.19
MolLogP？: -0.5985
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 4
Activities Information
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