(2S,3S,4R)-2,3,4,6-tetrahydroxyhexanoic acid

C6H12O6 — CID 91281326

IUPAC(2S,3S,4R)-2,3,4,6-tetrahydroxyhexanoic acid
SMILESO=C(O)[C@@H](O)[C@@H](O)[C@H](O)CCO
InChIInChI=1S/C6H12O6/c7-2-1-3(8)4(9)5(10)6(11)12/h3-5,7-10H,1-2H2,(H,11,12)/t3-,4+,5+/m1/s1
InChIKeyVAJQHYPITCSKAO-WISUUJSJSA-N
MW180.16 g/mol
LogP-2.46
Rot. Bonds5

About (2S,3S,4R)-2,3,4,6-tetrahydroxyhexanoic acid

(2S,3S,4R)-2,3,4,6-tetrahydroxyhexanoic acid (PubChem CID 91281326) has the molecular formula C6H12O6 and a molecular weight of 180.16 g/mol. Its IUPAC name is (2S,3S,4R)-2,3,4,6-tetrahydroxyhexanoic acid.

Molecular Properties

Compound Name(2S,3S,4R)-2,3,4,6-tetrahydroxyhexanoic acid
PubChem CID91281326
Molecular FormulaC6H12O6
Molecular Weight180.16 g/mol
Exact Mass180.06
IUPAC Name(2S,3S,4R)-2,3,4,6-tetrahydroxyhexanoic acid
SMILESO=C(O)[C@@H](O)[C@@H](O)[C@H](O)CCO
InChIInChI=1S/C6H12O6/c7-2-1-3(8)4(9)5(10)6(11)12/h3-5,7-10H,1-2H2,(H,11,12)/t3-,4+,5+/m1/s1
InChIKeyVAJQHYPITCSKAO-WISUUJSJSA-N
XLogP-2.46
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-2.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (2S,3S,4R)-2,3,4,6-tetrahydroxyhexanoic acid 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

sodium;hydride;2,3,4,18-tetrahydroxyoctadecanoic acid
CID 174758233
2,3,4,5-tetrahydroxypentanoic acid
CID 10264
potassium;hydride;tris((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
CID 173213444
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy(113C)hexanoic acid
CID 165412478
2,3,4-trihydroxyhexanedioic acid
CID 19899983
hexane-1,2,3,4,5,6-hexol;2,3,4,5,6-pentahydroxyhexanoic acid
CID 174726112
(4R)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 134944021
(2S,3R,4S)-5-amino-2,3,4-trihydroxypentanoic acid
CID 135189043
(3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 11479470
sodium;hydride;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid;stibane
CID 173024779
magnesium;hydride;λ2-stannane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 173075138
(2S,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 6857454

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-2,3,4,6-tetrahydroxyhexanoic acid?
The IUPAC name of (2S,3S,4R)-2,3,4,6-tetrahydroxyhexanoic acid (CID 91281326) is (2S,3S,4R)-2,3,4,6-tetrahydroxyhexanoic acid.
What is the SMILES notation for (2S,3S,4R)-2,3,4,6-tetrahydroxyhexanoic acid?
The canonical SMILES for (2S,3S,4R)-2,3,4,6-tetrahydroxyhexanoic acid is O=C(O)[C@@H](O)[C@@H](O)[C@H](O)CCO.
What is the InChIKey of (2S,3S,4R)-2,3,4,6-tetrahydroxyhexanoic acid?
The InChIKey is VAJQHYPITCSKAO-WISUUJSJSA-N. The full InChI is InChI=1S/C6H12O6/c7-2-1-3(8)4(9)5(10)6(11)12/h3-5,7-10H,1-2H2,(H,11,12)/t3-,4+,5+/m1/s1.
What are the key properties of (2S,3S,4R)-2,3,4,6-tetrahydroxyhexanoic acid?
(2S,3S,4R)-2,3,4,6-tetrahydroxyhexanoic acid has a molecular weight of 180.16 g/mol, XLogP of -2.46, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-2,3,4,6-tetrahydroxyhexanoic acid is sourced from PubChem (CID 91281326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).