Basic information
- CAS
121496-69-3- Standard SMILES
O=P(O)(O)O[C@H]1[C@H](O)[C@@H](O)C(O[C@@H](CO)[C@H](O)[C@H](O)CO)O[C@@H]1CO- InChIKey
JKRSKMAIGNQRNA-HYZGGICSSA-N- Molecular formula
- C11H23O13P
- Average molar mass
- 394.27 g/mol
- Monoisotopic mass
- 394.08762778
Overview
repeating units of Haemophilus influenzae type a capsular antigen; structure given in first source
Names & identifiers
- Preferred name
- 2-O-Glucopyranosylribitol-4'-phosphate
- IUPAC
- [(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2S,3R,4R)-1,3,4,5-tetrahydroxypentan-2-yl]oxyoxan-3-yl] dihydrogen phosphate
- English name
- 2-O-glucopyranosylribitol-4'-phosphate
- Molecular weight
- 0
Names & synonyms
2-Gpr-4P121496-69-32-O-Glucopyranosylribitol-4'-phosphateRefChem:88818SCHEMBL4282363DTXSID409238252-O-(4-O-Phosphonohexopyranosyl)pentitol2-O-(4-O-Phosphono-D-glucopyranosyl)-D-ribitol
Database identifiers
- CAS
121496-69-3- PubChem CID
- 129449
- DTXSID
DTXSID40923825
Properties
Computed structural properties
- XLogP
- -6.2
- Topological polar surface area
- 227 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 444
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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