N-Methyl-1,4-dideoxy-1,4-imino-D-ribitol

HCID 452008

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Basic information

CAS: 117894-16-3
Standard SMILES: CN1C[C@H](O)[C@H](O)[C@H]1CO
InChIKey: UBVOJPDDTVFNFJ-NGJCXOISSA-N
Molecular formula: C6H13NO3
Average molar mass: 147.17 g/mol
Monoisotopic mass: 147.08954328

Names & identifiers

Preferred name: N-Methyl-1,4-dideoxy-1,4-imino-D-ribitol
IUPAC: (2R,3R,4S)-2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol

Names & synonyms

MeDRib117894-16-3N-Methyl-1,4-dideoxy-1,4-imino-D-ribitol(2R,3R,4S)-2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-methyl-, (2R-(2alpha,3beta,4beta))-SCHEMBL9495437DTXSID20151942(2R,3R,4S)-2-(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-methyl-, [2R-(2a,3b,4b)]-

Database identifiers

CAS: 117894-16-3
PubChem CID: 452008
DTXSID: DTXSID20151942

Properties

Computed structural properties

XLogP: -1.3
Topological polar surface area: 63.9 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 120

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