[3,4,5-Trihydroxy-6-(phosphonooxymethyl)oxan-2-yl] dihydrogen phosphate

HCID 737

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Basic information

Standard SMILES: O=P(O)(O)OCC1OC(OP(=O)(O)O)C(O)C(O)C1O
InChIKey: RWHOZGRAXYWRNX-UHFFFAOYSA-N
Molecular formula: C6H14O12P2
Average molar mass: 340.12 g/mol
Monoisotopic mass: 339.99604987

Overview

See also: Glucose 1,6-bisphosphate (annotation moved to).

Names & identifiers

Preferred name: [3,4,5-Trihydroxy-6-(phosphonooxymethyl)oxan-2-yl] dihydrogen phosphate
IUPAC: [3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl] dihydrogen phosphate

Names & synonyms

1,6-di-o-phosphonohexopyranose[3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl] dihydrogen phosphate.alpha.-D-Glucopyranose, 1,6-bis(dihydrogen phosphate)DTXSID60864226

Database identifiers

PubChem CID: 737
DTXSID: DTXSID60864226

Properties

Computed structural properties

XLogP: -5.3
Topological polar surface area: 203 Å²
Hydrogen bond donors: 7
Hydrogen bond acceptors: 12
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 414

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Compound notes

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