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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP036105

(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonatooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-N-[3-[2-(3-hydroxy-3-phenylpropanoyl)sulfanylethylimino]-3-oxidopropyl]-3,3-dimethylbutanimidate

Formula: C30H40N7O18P3S-4  |  Mol. Weight: 911.70 g/mol

IUPAC: (2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonatooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-N-[3-[2-(3-hydroxy-3-phenylpropanoyl)sulfanylethylimino]-3-oxidopropyl]-3,3-dimethylbutanimidate

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Overview

Molecular Formula C30H40N7O18P3S-4
Molecular Weight 911.70 g/mol
Canonical SMILES CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])C(C(=NCCC(=NCCSC(=O)CC(C4=CC=CC=C4)O)[O-])[O-])O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy