6-o-Phosphonohexopyranosyl hexopyranoside

HCID 1144

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Basic information

CAS: 10196-10-8
Standard SMILES: O=P(O)(O)OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
InChIKey: LABSPYBHMPDTEL-UHFFFAOYSA-N
Molecular formula: C12H23O14P
Average molar mass: 422.28 g/mol
Monoisotopic mass: 422.0825424

Overview

6-o-Phosphonohexopyranosyl hexopyranoside is a disaccharide phosphate.

Names & identifiers

Preferred name: 6-o-Phosphonohexopyranosyl hexopyranoside
IUPAC: [3,4,5-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl dihydrogen phosphate

Names & synonyms

6-o-phosphonohexopyranosyl hexopyranosideDTXSID9027429810196-10-8[3,4,5-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl dihydrogen phosphate(3,4,5-trihydroxy-6-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)methyl dihydrogen phosphateRefChem:935970GlyTouCan:G95940CYDTXCID20225778G95940CYSCHEMBL3671592CHEBI:182126{[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methoxy}phosphonic acid

Show more names

Hexopyranosyl 6-O-phosphonohexopyranoside237A69AA-28B7-43B7-97CA-8FA15EA23C56

Database identifiers

CAS: 10196-10-8
PubChem CID: 1144
DTXSID: DTXSID90274298
ChEBI: CHEBI:182126

Properties

Computed structural properties

XLogP: -5.8
Topological polar surface area: 236 Å²
Hydrogen bond donors: 9
Hydrogen bond acceptors: 14
Rotatable bonds: 6
Heavy atoms: 27
Formal charge: 0
Complexity: 528

Experimental & physicochemical properties

Collision Cross Section191.2 Å² [M+Na]+

Related reactions

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Compound notes

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