(2R,4R,5S,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-one

C6H10O6 — CID 175884762

IUPAC(2R,4R,5S,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-one
SMILESO=C1[C@@H](CO)O[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2,4-7,9-11H,1H2/t2-,4+,5+,6+/m1/s1
InChIKeyXUXWOYRIGVQFMU-JSTMLOLSSA-N
MW178.14 g/mol
LogP-3.01
Rot. Bonds1

About (2R,4R,5S,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-one

(2R,4R,5S,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-one (PubChem CID 175884762) has the molecular formula C6H10O6 and a molecular weight of 178.14 g/mol. Its IUPAC name is (2R,4R,5S,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-one.

Molecular Properties

Compound Name(2R,4R,5S,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-one
PubChem CID175884762
Molecular FormulaC6H10O6
Molecular Weight178.14 g/mol
Exact Mass178.05
IUPAC Name(2R,4R,5S,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-one
SMILESO=C1[C@@H](CO)O[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2,4-7,9-11H,1H2/t2-,4+,5+,6+/m1/s1
InChIKeyXUXWOYRIGVQFMU-JSTMLOLSSA-N
XLogP-3.01
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 5-3.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R,4R,5S,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-propan-2-yloxan-3-one
CID 174103108
N-[(2R,3R,4R,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-oxooxan-3-yl]acetamide
CID 91850724
(2S,4R)-4-hydroxy-5-(hydroxymethyl)-2-methyloxolan-3-one
CID 58758225
(2S)-4-(hydroxymethyl)oxetane-2,3-diol
CID 130341188
(2S,3S,5R,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-4-one
CID 118274789
trihydroxy-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-oxooxolan-2-yl]phosphanium
CID 57151462
1-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyrrolidine-2,5-dione
CID 139757906
(2S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylsulfanyloxan-3-one
CID 123536630
cis-(2S,5R)-2,3,4,5,6-pentahydroxycyclohexan-1-one
CID 58392006
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;phosphoric acid
CID 66665794
(4S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one
CID 148905339
(4R,6R)-4,6-bis(hydroxymethyl)-1,3-dioxan-5-one
CID 119097386

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5S,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-one?
The IUPAC name of (2R,4R,5S,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-one (CID 175884762) is (2R,4R,5S,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-one.
What is the SMILES notation for (2R,4R,5S,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-one?
The canonical SMILES for (2R,4R,5S,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-one is O=C1[C@@H](CO)O[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,4R,5S,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-one?
The InChIKey is XUXWOYRIGVQFMU-JSTMLOLSSA-N. The full InChI is InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2,4-7,9-11H,1H2/t2-,4+,5+,6+/m1/s1.
What are the key properties of (2R,4R,5S,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-one?
(2R,4R,5S,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-one has a molecular weight of 178.14 g/mol, XLogP of -3.01, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5S,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-one is sourced from PubChem (CID 175884762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).