(5S,6R)-5-hydroxy-6-(hydroxymethyl)oxane-2,3-dione

C6H8O5 — CID 45083324

IUPAC(5S,6R)-5-hydroxy-6-(hydroxymethyl)oxane-2,3-dione
SMILESO=C1C[C@H](O)[C@@H](CO)OC1=O
InChIInChI=1S/C6H8O5/c7-2-5-3(8)1-4(9)6(10)11-5/h3,5,7-8H,1-2H2/t3-,5+/m0/s1
InChIKeyUODAMGJXLNHVCA-WVZVXSGGSA-N
MW160.12 g/mol
LogP-1.78
Rot. Bonds1

About (5S,6R)-5-hydroxy-6-(hydroxymethyl)oxane-2,3-dione

(5S,6R)-5-hydroxy-6-(hydroxymethyl)oxane-2,3-dione (PubChem CID 45083324) has the molecular formula C6H8O5 and a molecular weight of 160.12 g/mol. Its IUPAC name is (5S,6R)-5-hydroxy-6-(hydroxymethyl)oxane-2,3-dione.

Molecular Properties

Compound Name(5S,6R)-5-hydroxy-6-(hydroxymethyl)oxane-2,3-dione
PubChem CID45083324
Molecular FormulaC6H8O5
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name(5S,6R)-5-hydroxy-6-(hydroxymethyl)oxane-2,3-dione
SMILESO=C1C[C@H](O)[C@@H](CO)OC1=O
InChIInChI=1S/C6H8O5/c7-2-5-3(8)1-4(9)6(10)11-5/h3,5,7-8H,1-2H2/t3-,5+/m0/s1
InChIKeyUODAMGJXLNHVCA-WVZVXSGGSA-N
XLogP-1.78
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 5-1.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(5R,6R)-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-one
CID 55297835
(5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-one
CID 71311760
(4R,5R)-5-(hydroxymethyl)-4-phenyloxolan-2-one
CID 25179342
(4S,5R)-5-(hydroxymethyl)-4-methyloxolan-2-one
CID 10820549
(1R,4S,5S)-4-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-2-one
CID 15852575
(3aR,6R,6aR)-6-(hydroxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 11147869
3,4-dihydroxy-2-(hydroxymethyl)cyclopentan-1-one
CID 175199406
6-hydroxy-4-(hydroxymethyl)-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
CID 170688748
(2S,3S,3aS,6aS)-3-hydroxy-2-(hydroxymethyl)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 11148015
(2S)-2,4-bis(hydroxymethyl)-2,3-dihydropyran-6-one
CID 130660381
(4S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one
CID 148905339
(3S,4R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
CID 144754191

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-5-hydroxy-6-(hydroxymethyl)oxane-2,3-dione?
The IUPAC name of (5S,6R)-5-hydroxy-6-(hydroxymethyl)oxane-2,3-dione (CID 45083324) is (5S,6R)-5-hydroxy-6-(hydroxymethyl)oxane-2,3-dione.
What is the SMILES notation for (5S,6R)-5-hydroxy-6-(hydroxymethyl)oxane-2,3-dione?
The canonical SMILES for (5S,6R)-5-hydroxy-6-(hydroxymethyl)oxane-2,3-dione is O=C1C[C@H](O)[C@@H](CO)OC1=O.
What is the InChIKey of (5S,6R)-5-hydroxy-6-(hydroxymethyl)oxane-2,3-dione?
The InChIKey is UODAMGJXLNHVCA-WVZVXSGGSA-N. The full InChI is InChI=1S/C6H8O5/c7-2-5-3(8)1-4(9)6(10)11-5/h3,5,7-8H,1-2H2/t3-,5+/m0/s1.
What are the key properties of (5S,6R)-5-hydroxy-6-(hydroxymethyl)oxane-2,3-dione?
(5S,6R)-5-hydroxy-6-(hydroxymethyl)oxane-2,3-dione has a molecular weight of 160.12 g/mol, XLogP of -1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-5-hydroxy-6-(hydroxymethyl)oxane-2,3-dione is sourced from PubChem (CID 45083324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).