3-O-rhamnopyranosyl-4-O-glucopyranosyl-galactopyranose
Basic information
- CAS
114030-60-3- Standard SMILES
C[C@@H]1O[C@@H](OC([C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)CO)[C@@H](O)C=O)[C@H](O)[C@H](O)[C@H]1O- InChIKey
OVYANALZSAYBOJ-DKANTVEISA-N- Molecular formula
- C18H32O15
- Average molar mass
- 488.4 g/mol
- Monoisotopic mass
- 488.17412031
Names & identifiers
- Preferred name
- 3-O-rhamnopyranosyl-4-O-glucopyranosyl-galactopyranose
- IUPAC
- (2R,4S,5R)-2,5,6-trihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexanal
- English name
- 3-O-rhamnopyranosyl-4-O-glucopyranosyl-galactopyranose
- Molecular formula
- C18H32O15
- Molecular weight
- 488.44
Names & synonyms
3-RGG114030-60-33-O-Rhamnopyranosyl-4-O-glucopyranosyl-galactopyranoseRefChem:95177DTXSID209212636-Deoxyhexopyranosyl-(1->3)-[hexopyranosyl-(1->4)]hexose(3-O-alpha-L-Rhamnopyranosyl)-(4-O-alpha-D-glucopyranosyl)-alpha-D-galactopyranose(3-O-alpha-L-rhamnopyranosyl)-(4-O-beta-D-glucopyranosyl)-alpha-D-galactopyranose6-deoxy-alpha-L-mannopyranosyl-(1->3)-[alpha-D-glucopyranosyl-(1->4)]-(3xi)-D-xylo-hexoseD-Galactose, O-6-deoxy-α-L-mannopyranosyl-(1→3)-O-[α-D-glucopyranosyl-(1→4)]-
Database identifiers
- CAS
114030-60-3- PubChem CID
- 195052
- DTXSID
DTXSID20921263
Properties
Computed structural properties
- XLogP
- -6.1
- Topological polar surface area
- 256 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 609
Physicochemical properties
- Boiling point
- 916.5 · 916.5±65.0 °C(Predicted)
- Density
- 1.68 · 1.68±0.1 g/cm3(Predicted)
- pka
- 12.2 · 12.20±0.20(Predicted)
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Related reactions
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Compound notes
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