(5S)-3,4,5,6-tetrahydroxyoxan-2-one

C5H8O6 — CID 135075644

IUPAC(5S)-3,4,5,6-tetrahydroxyoxan-2-one
SMILESO=C1OC(O)[C@@H](O)C(O)C1O
InChIInChI=1S/C5H8O6/c6-1-2(7)4(9)11-5(10)3(1)8/h1-4,6-9H/t1?,2-,3?,4?/m0/s1
InChIKeyXBDKENMSFLJFKG-DRSJPZNZSA-N
MW164.11 g/mol
LogP-3.06
Rot. Bonds

About (5S)-3,4,5,6-tetrahydroxyoxan-2-one

(5S)-3,4,5,6-tetrahydroxyoxan-2-one (PubChem CID 135075644) has the molecular formula C5H8O6 and a molecular weight of 164.11 g/mol. Its IUPAC name is (5S)-3,4,5,6-tetrahydroxyoxan-2-one.

Molecular Properties

Compound Name(5S)-3,4,5,6-tetrahydroxyoxan-2-one
PubChem CID135075644
Molecular FormulaC5H8O6
Molecular Weight164.11 g/mol
Exact Mass164.03
IUPAC Name(5S)-3,4,5,6-tetrahydroxyoxan-2-one
SMILESO=C1OC(O)[C@@H](O)C(O)C1O
InChIInChI=1S/C5H8O6/c6-1-2(7)4(9)11-5(10)3(1)8/h1-4,6-9H/t1?,2-,3?,4?/m0/s1
InChIKeyXBDKENMSFLJFKG-DRSJPZNZSA-N
XLogP-3.06
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.11
LogP ≤ 5-3.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(3S,4S,5R,6R)-3,4,5,6,7-pentahydroxyoxepan-2-one
CID 175693945
(3R,5S)-3,4,5-trihydroxy-6-methyloxan-2-one
CID 90338107
(3R,6S,6aS)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 71317103
(2S,3R,3aS,6aS)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 123134521
(4S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one
CID 148905339
6-ethyl-3,4,5-trihydroxyoxan-2-one
CID 123675946
(3R,4S,5S,6R)-6-[deuterio(hydroxy)methyl]-3,4,5-trihydroxyoxan-2-one
CID 175929927
(3R,4S,5R,6S,12R,13R,14S,15R)-3,4,5,6,12,13,14,15-octahydroxy-1,8,10,17-tetraoxaspiro[8.8]heptadecane-2,7,11,16-tetrone
CID 156761670
5-(bromomethyl)-3,4-dihydroxyoxolan-2-one
CID 75089328
(3R,4R,5S)-5-(chloromethyl)-3,4-dihydroxyoxolan-2-one
CID 55298554
(3S,4S,5S)-5-(chloromethyl)-3,4-dihydroxyoxolan-2-one
CID 55298555
(3R,4S,5S,6E)-6-(hydroxymethylidene)oxane-2,3,4,5-tetrol
CID 140782295

Frequently Asked Questions

What is the IUPAC name of (5S)-3,4,5,6-tetrahydroxyoxan-2-one?
The IUPAC name of (5S)-3,4,5,6-tetrahydroxyoxan-2-one (CID 135075644) is (5S)-3,4,5,6-tetrahydroxyoxan-2-one.
What is the SMILES notation for (5S)-3,4,5,6-tetrahydroxyoxan-2-one?
The canonical SMILES for (5S)-3,4,5,6-tetrahydroxyoxan-2-one is O=C1OC(O)[C@@H](O)C(O)C1O.
What is the InChIKey of (5S)-3,4,5,6-tetrahydroxyoxan-2-one?
The InChIKey is XBDKENMSFLJFKG-DRSJPZNZSA-N. The full InChI is InChI=1S/C5H8O6/c6-1-2(7)4(9)11-5(10)3(1)8/h1-4,6-9H/t1?,2-,3?,4?/m0/s1.
What are the key properties of (5S)-3,4,5,6-tetrahydroxyoxan-2-one?
(5S)-3,4,5,6-tetrahydroxyoxan-2-one has a molecular weight of 164.11 g/mol, XLogP of -3.06, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3,4,5,6-tetrahydroxyoxan-2-one is sourced from PubChem (CID 135075644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).