1,5-Anhydro-D-fructose
(4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-one
Molecular Identity
1,5-Anhydro-D-fructose
(4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-one
PubChem CID: 126517
1,5-anhydro-D-fructose is a member of 3-pyrones, an anhydrohexose, an organic heterocyclic compound, a triol, a cyclic ether and a cyclic ketone.
2D Structure
Properties
C6H10O5
Molecular Formula
162.14
Molecular Weight
g/mol
162.0528
Exact Mass
Da
-1.6
XLogP
Drug-like (Lipinski: < 5)
87
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
157
Complexity
SMILES
Canonical SMILES
SMILES: C1C(=O)C(C(C(O1)CO)O)OIsomeric SMILES
SMILES: C1C(=O)[C@H]([C@@H]([C@H](O1)CO)O)OSynonyms(20)
1,5-Anhydro-D-fructose75414-43-61,5-AnhydrofructoseCHEBI:16715(4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-one(4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-oneRefChem:73425GlyTouCan:G58064HDG58064HDCHEMBL1234723AC1Q6ETXDTXSID10996864OCLOLUFOLJIQDC-HSUXUTPPSA-NNHF(4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-one
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 1,5-Anhydro-D-fructose
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