1,5-Anhydrohexitol

HCID 219984

Notes Reactions

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Basic information

CAS: 472960-23-9
Standard SMILES: OCC1OCC(O)C(O)C1O
InChIKey: MPCAJMNYNOGXPB-UHFFFAOYSA-N
Molecular formula: C6H12O5
Average molar mass: 164.16 g/mol
Monoisotopic mass: 164.06847348

Overview

1,5-anhydrohexitol is an anhydro sugar.

Names & identifiers

Preferred name: 1,5-Anhydrohexitol
IUPAC: 2-(hydroxymethyl)oxane-3,4,5-triol

Names & synonyms

1,5-Anhydrohexitol472960-23-9DTXSID80861838RefChem:221163GlyTouCan:G45110IIDTXCID80810705G45110II2-hydroxymethyl-tetrahydro-pyran-3,4,5-triol2-(hydroxymethyl)oxane-3,4,5-triolNSC1974Glucitol,5-anhydro-1,5-Anhydrohexitol #

Show more names

1,5-Anhydro-d-altritolSCHEMBL28130SCHEMBL184169SCHEMBL2140198CHEBI:144042MPCAJMNYNOGXPB-UHFFFAOYSA-NNSC-1974NSC232052

Database identifiers

CAS: 472960-23-9
PubChem CID: 219984
DTXSID: DTXSID80861838
ChEBI: CHEBI:144042

Properties

Computed structural properties

XLogP: -2.1
Topological polar surface area: 90.2 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 128

Related reactions

2 records

New reaction record

HRID 949167As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1142603As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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