Sucrose 6-phosphate
Basic information
- CAS
22372-29-8- Standard SMILES
O=P(O)(O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
WQQSIXKPRAUZJL-UGDNZRGBSA-N- Molecular formula
- C12H23O14P
- Average molar mass
- 422.28 g/mol
- Monoisotopic mass
- 422.0825424
Overview
Sucrose 6(G)-phosphate is a disaccharide phosphate that is sucrose carrying a single monophosphate substituent at position 6 on the glucose ring. It has a role as an Escherichia coli metabolite. It is functionally related to a sucrose. It is a conjugate acid of a sucrose 6(G)-phosphate(2-).
Names & identifiers
- Preferred name
- Sucrose 6-phosphate
- IUPAC
- [(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate
- English name
- sucrose-6-phosphate
- Molecular formula
- C12H23O14P
- Molecular weight
- 422.28
Names & synonyms
sucrose-6-phosphateSucrose 6-phosphate6-O-Phosphonosucrose22372-29-86-Phosphosucrosebeta-D-fructofuranosyl 6-O-phosphono-alpha-D-glucopyranoside71N414Q30Xbeta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranosideRefChem:932346GlyTouCan:G82080QJG82080QJ(((2R,3S,4S,5R,6R)-6-(((2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl)oxy)-3,4,5-trihydroxyoxan-2-yl)methoxy)phosphonic acid
Show more names
α-D-Glucopyranoside, β-D-fructofuranosyl, 6-(dihydrogen phosphate)
((2R,3S,4S,5R,6R)-6-((2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl)oxy-3,4,5-trihydroxyoxan-2-yl)methyl dihydrogen phosphate((2R,3S,4S,5R,6R)-6-(((2S,3S,4S,5R)-3,4-Dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl dihydrogen phosphatesucrose 6(G)-phosphateSucrose-6-phosphate sodiumUNII-71N414Q30Xalpha-D-glucopyranosyl-(1<->2)-beta-D-fructofuranoside 6-phosphatebeta-D-fructofuranosyl-(1<->2)-alpha-D-glucopyranoside 6-phosphateSCHEMBL134508
Database identifiers
Properties
Computed structural properties
- XLogP
- -5.3
- Topological polar surface area
- 236 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 542
Physicochemical properties
- Boiling point
- 810.7 · 810.7±75.0 °C(Predicted)
- Density
- 1.9 · 1.90±0.1 g/cm3(Predicted)
- pka
- 1.86 · 1.86±0.10(Predicted)
- FDA UNII
- 71 N414Q30X · 71N414Q30X
Chemistry & industry
Additional notes
DefinitionChEBI: A disaccharide phosphate that is sucrose carrying a single monophosphate substituent at position 6 on the glucose ring.
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