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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP036128

[[5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-2-[[[hydroxy(oxido)phosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidophosphoryl] phosphate

Formula: C10H12N5O17P4-5  |  Mol. Weight: 598.12 g/mol

IUPAC: [[5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-2-[[[hydroxy(oxido)phosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidophosphoryl] phosphate

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Overview

Molecular Formula C10H12N5O17P4-5
Molecular Weight 598.12 g/mol
Canonical SMILES C1=NC2=C(N1C3C(C(C(O3)COP(=O)([O-])OP(=O)(O)[O-])OP(=O)([O-])OP(=O)([O-])[O-])O)N=C(NC2=O)N

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy