propyl O-beta galactopyranosyl-(1-4)-O-beta galactopyranosyl-(1-4)-alpha galactopyranoside
Basic information
- CAS
93495-81-9- Standard SMILES
CCC[C@]1(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O- InChIKey
HFOXKFUFXCZIKS-HOTWGDJZSA-N- Molecular formula
- C21H38O16
- Average molar mass
- 546.5 g/mol
- Monoisotopic mass
- 546.21598512
Overview
structure given in first source
Names & identifiers
- Preferred name
- propyl O-beta galactopyranosyl-(1-4)-O-beta galactopyranosyl-(1-4)-alpha galactopyranoside
- IUPAC
- (2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propyl-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- English name
- propyl O-beta galactopyranosyl-(1-4)-O-beta galactopyranosyl-(1-4)-alpha galactopyranoside
- Molecular formula
- C21H38O16
- Molecular weight
- 546.52
Names & synonyms
PGGG93495-81-9Propyl O-beta-galactopyranosyl-(1-4)-O-beta galactopyranosyl-(1-4)-alpha galactopyranosideDTXSID70239441Propyl O-beta galactopyranosyl-(1-4)-O-beta galactopyranosyl-(1-4)-alpha galactopyranosidealpha-D-Galactopyranoside, propyl O-beta-D-galactopyranosyl-(1-4)-O-beta-D-galactopyranosyl-(1-4)-, (3beta)-RefChem:176508DTXCID90161932SCHEMBL29380410beta-D-Galactopyranosyl-(1->5)-1,2,3-trideoxy-alpha-D-galacto-non-4-ulopyranosyl beta-D-galactopyranosideα-D-Galactopyranoside, propyl O-β-D-galactopyranosyl-(1→4)-O-β-D-galactopyranosyl-(1→4)-
Database identifiers
- CAS
93495-81-9- PubChem CID
- 196311
- DTXSID
DTXSID70239441
Properties
Computed structural properties
- XLogP
- -4.7
- Topological polar surface area
- 269 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 716
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Related reactions
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Compound notes
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