3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-methyl-, (2R,3R,4R)-
Basic information
- CAS
117956-55-5- Standard SMILES
CN1C[C@@H](O)[C@H](O)[C@H]1CO- InChIKey
UBVOJPDDTVFNFJ-HSUXUTPPSA-N- Molecular formula
- C6H13NO3
- Average molar mass
- 147.17 g/mol
- Monoisotopic mass
- 147.08954328
Overview
3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-methyl-, (2R,3R,4R)- has been reported in Angylocalyx pynaertii with data available.
Names & identifiers
- Preferred name
- 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-methyl-, (2R,3R,4R)-
- IUPAC
- (2R,3R,4R)-2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol
Names & synonyms
117956-55-53,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-methyl-, (2R,3R,4R)-(2R,3R,4R)-2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diolN-Methyl-1,4-dideoxy-1,4-imino-D-arabinitolDTXSID70151972RefChem:91275DTXCID6074463MeDABCHEMBL80148SCHEMBL61352763' Methyl 4 dimethylaminoazobenzeneBDBM50031480
Show more names
(2R,3R,4R)-2-(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol(2R,3R,4R)-2-Hydroxymethyl-1-methyl-pyrrolidine-3,4-diol
Database identifiers
- CAS
117956-55-5- PubChem CID
- 451992
- DTXSID
DTXSID70151972- ChEMBL
CHEMBL80148- Nikkaji
- J686.803G
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 120
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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