2,3-Diacetamido-2,3-dideoxymannuronic acid
Basic information
- CAS
82953-40-0- Standard SMILES
CC(=O)N[C@@H]([C@H](O)[C@H](O)C(=O)O)[C@@H](C=O)NC(C)=O- InChIKey
NECLRKWCWAVXSY-HXFLIBJXSA-N- Molecular formula
- C10H16N2O7
- Average molar mass
- 276.24 g/mol
- Monoisotopic mass
- 276.09575085
Overview
from Pseudomonas aeruginosa lipopolysaccharide
Names & identifiers
- Preferred name
- 2,3-Diacetamido-2,3-dideoxymannuronic acid
- IUPAC
- (2S,3S,4R,5S)-4,5-diacetamido-2,3-dihydroxy-6-oxohexanoic acid
- English name
- 2,3-diacetamido-2,3-dideoxymannuronic acid
- Molecular formula
- C10H16N2O7
- Molecular weight
- 276.24
Names & synonyms
D-Mannuronic acid, 2,3-bis(acetylamino)-2,3-dideoxy-2,3-DD-Mannuronic acid2,3-Diacetamido-2,3-dideoxymannuronic acid82953-40-0RefChem:81540(2S,3S,4R,5S)-4,5-diacetamido-2,3-dihydroxy-6-oxohexanoic acidSCHEMBL3513773
Database identifiers
- CAS
82953-40-0- PubChem CID
- 134129
Properties
Computed structural properties
- XLogP
- -3.2
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 371
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Related reactions
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Compound notes
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