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

HCID 452007

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Basic information

CAS: 141434-65-3
Standard SMILES: OC[C@@H]1[C@@H](O)[C@@H](O)CN1Cc1ccccc1
InChIKey: SBDAWMSBMQBJRA-GRYCIOLGSA-N
Molecular formula: C12H17NO3
Average molar mass: 223.27 g/mol
Monoisotopic mass: 223.1208434

Names & identifiers

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

Names & synonyms

BzDRibN-Benzyl-1,4-dideoxy-1,4-imino-D-ribitol141434-65-33,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-(phenylmethyl)-, (2alpha,3beta,4beta)-(2R,3R,4S)-1-benzyl-2-(hydroxymethyl)pyrrolidine-3,4-diolCHEMBL445249SCHEMBL7912849DTXSID101617323,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-(phenylmethyl)-, (2a,3b,4b)-

Database identifiers

CAS: 141434-65-3
PubChem CID: 452007
DTXSID: DTXSID10161732
ChEMBL: CHEMBL445249

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 63.9 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 218

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