(1R,2S,3S)-2-(6-Amino-9H-purin-9-yl)-4-(hydroxymethyl)-4-cyclopentene-1,3-diol

HCID 175228

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Basic information

CAS: 72877-51-1
Standard SMILES: Nc1ncnc2c1ncn2[C@H]1[C@H](O)C=C(CO)[C@@H]1O
InChIKey: QTTPSWNJDDVBIP-YEPSODPASA-N
Molecular formula: C11H13N5O3
Average molar mass: 263.25 g/mol
Monoisotopic mass: 263.10183929

Overview

see also neplanocin A; structure in first source

Names & identifiers

Preferred name: (1R,2S,3S)-2-(6-Amino-9H-purin-9-yl)-4-(hydroxymethyl)-4-cyclopentene-1,3-diol
IUPAC: (1R,2S,3S)-2-(6-aminopurin-9-yl)-4-(hydroxymethyl)cyclopent-4-ene-1,3-diol
English name: neplanocin F
Molecular formula: C11H13N5O3
Molecular weight: 0

Names & synonyms

Neplanocin F72877-51-1RefChem:905692(1R,2S,3S)-2-(6-Amino-9H-purin-9-yl)-4-(hydroxymethyl)-4-cyclopentene-1,3-diolBRN 4535567(1R,2S,3S)-2-(6-aminopurin-9-yl)-4-(hydroxymethyl)cyclopent-4-ene-1,3-diol4-Cyclopentene-1,3-diol, 2-(6-amino-9H-purin-9-yl)-4-(hydroxymethyl)-DTXSID909936592-(6-Amino-9H-purin-9-yl)-4-(hydroxymethyl)-4-cyclopentene-1,3-diol2-(6-Amino-9H-purin-9-yl)-4-(hydroxymethyl)cyclopent-4-ene-1,3-diol(1R,2S,3S)-2-(6-Amino-9H-purin-9-yl)-4-(hydroxymethyl)cyclopent-4-ene-1,3-diol

Database identifiers

CAS: 72877-51-1
PubChem CID: 175228
DTXSID: DTXSID90993659

Properties

Computed structural properties

XLogP: -2.2
Topological polar surface area: 130 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 7
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 379

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