Melibiouronic acid
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Basic information
- CAS
109280-58-2- Standard SMILES
O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O- InChIKey
NBTUEARNKVTGKY-RBAZEOKYSA-N- Molecular formula
- C12H20O12
- Average molar mass
- 356.28 g/mol
- Monoisotopic mass
- 356.09547607
Overview
structure given in first source
Names & identifiers
- Preferred name
- Melibiouronic acid
- IUPAC
- (2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexoxy]oxane-2-carboxylic acid
- English name
- melibiouronic acid
- Molecular formula
- C12H20O12
- Molecular weight
- 356.28
Names & synonyms
Melibiouronic acid109280-58-2O-(Galactopyranosyluronic acid)-(1-6)glucoseRefChem:1563526-O-HexopyranuronosylhexoseSCHEMBL30667532DTXSID109110726-O-alpha-D-Galactopyranuronosyl-D-glucose
Database identifiers
- CAS
109280-58-2- PubChem CID
- 196628
- DTXSID
DTXSID10911072
Properties
Computed structural propertiesFilling in
- XLogP
- -4.8
- Topological polar surface area
- 214 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 430
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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