Vbnaswcfbiyqkr-zdlurkldsa-
Basic information
- CAS
54963-44-9- Standard SMILES
O=C(O)C[C@H](O)[C@H]1NCC[C@H]1O- InChIKey
VBNASWCFBIYQKR-ZDLURKLDSA-N- Molecular formula
- C7H13NO4
- Average molar mass
- 175.18 g/mol
- Monoisotopic mass
- 175.0844579
Names & identifiers
- Preferred name
- Vbnaswcfbiyqkr-zdlurkldsa-
- IUPAC
- (3S)-3-hydroxy-3-[(2S,3R)-3-hydroxypyrrolidin-2-yl]propanoic acid
Names & synonyms
VBNASWCFBIYQKR-ZDLURKLDSA-SCHEMBL10932114DTXSID20121983054963-44-9(I(2)S,2S,3R)-I(2),3-Dihydroxy-2-pyrrolidinepropanoic acid3-Hydroxy-3-[(2S,3R)-3-hydroxypyrrolidin-2-yl]propanoic acidInChI=1/C7H13NO4/c9-4-1-2-8-7(4)5(10)3-6(11)12/h4-5,7-10H,1-3H2,(H,11,12)/t4-,5+,7+/m1/s1
Database identifiers
- CAS
54963-44-9- PubChem CID
- 11052166
- DTXSID
DTXSID201219830- Nikkaji
- J722.341B
Properties
Computed structural properties
- XLogP
- -3.5
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 173
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Related reactions
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Compound notes
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