(5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-one

C6H10O5 — CID 71311760

IUPAC(5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-one
SMILESO=C1C[C@H](O)[C@@H](CO)OC1O
InChIInChI=1S/C6H10O5/c7-2-5-3(8)1-4(9)6(10)11-5/h3,5-8,10H,1-2H2/t3-,5+,6?/m0/s1
InChIKeyUHPMJDGOAZMIID-OPAZFOKUSA-N
MW162.14 g/mol
LogP-1.98
Rot. Bonds1

About (5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-one

(5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-one (PubChem CID 71311760) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is (5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-one.

Molecular Properties

Compound Name(5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-one
PubChem CID71311760
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name(5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-one
SMILESO=C1C[C@H](O)[C@@H](CO)OC1O
InChIInChI=1S/C6H10O5/c7-2-5-3(8)1-4(9)6(10)11-5/h3,5-8,10H,1-2H2/t3-,5+,6?/m0/s1
InChIKeyUHPMJDGOAZMIID-OPAZFOKUSA-N
XLogP-1.98
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-1.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-one?
The IUPAC name of (5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-one (CID 71311760) is (5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-one.
What is the SMILES notation for (5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-one?
The canonical SMILES for (5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-one is O=C1C[C@H](O)[C@@H](CO)OC1O.
What is the InChIKey of (5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-one?
The InChIKey is UHPMJDGOAZMIID-OPAZFOKUSA-N. The full InChI is InChI=1S/C6H10O5/c7-2-5-3(8)1-4(9)6(10)11-5/h3,5-8,10H,1-2H2/t3-,5+,6?/m0/s1.
What are the key properties of (5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-one?
(5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-one has a molecular weight of 162.14 g/mol, XLogP of -1.98, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-one is sourced from PubChem (CID 71311760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).