1-Deoxy-D-erythritol
Basic information
- CAS
41167-49-1- Standard SMILES
C[C@H](O)[C@H](O)CO- InChIKey
YAXKTBLXMTYWDQ-IUYQGCFVSA-N- Molecular formula
- C4H10O3
- Average molar mass
- 106.12 g/mol
- Monoisotopic mass
- 106.06299418
Names & identifiers
- Preferred name
- 1-Deoxy-D-erythritol
- IUPAC
- (2R,3S)-butane-1,2,3-triol
Names & synonyms
1-Deoxy-D-erythritol4144-94-9FTA8CJN72HErythritol, 1-deoxy-, D-1,2,3-Butanetriol, (S-(R*,S*))-DTXSID901019140RefChem:935071GlyTouCan:G14524SEDTXCID101477154G14524SE(2r,3s)-butane-1,2,3-triolErythritol, 1-deoxy-
Show more names
1-Deoxy-DL-erythritol(+/-)-erythro-1,2,3-Butanetriol1,2,3-Butanetriol, erythroK1WCW87V321,2,3-Butanetriol, (R*,S*)-NSC-757251,2,3-Butanetriol, (2R,3S)-rel-61913-76-6
Database identifiers
- CAS
41167-49-1、4144-94-9、61913-76-6- PubChem CID
- 253154
- DTXSID
DTXSID901019140- UNII
- FTA8CJN72H、K1WCW87V32
- Nikkaji
- J253.379K
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 46.2
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Compound notes
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