acetic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol

C8H18O8 — CID 155668282

IUPACacetic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
SMILESCC(=O)O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H14O6.C2H4O2/c7-1-3(9)5(11)6(12)4(10)2-8;1-2(3)4/h3-12H,1-2H2;1H3,(H,3,4)/t3-,4-,5-,6-;/m1./s1
InChIKeyHIYBFMAWCFPXHH-MVNLRXSJSA-N
MW242.22 g/mol
LogP-3.49
Rot. Bonds5

About acetic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol

acetic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol (PubChem CID 155668282) has the molecular formula C8H18O8 and a molecular weight of 242.22 g/mol. Its IUPAC name is acetic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol.

Molecular Properties

Compound Nameacetic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
PubChem CID155668282
Molecular FormulaC8H18O8
Molecular Weight242.22 g/mol
Exact Mass242.10
IUPAC Nameacetic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
SMILESCC(=O)O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H14O6.C2H4O2/c7-1-3(9)5(11)6(12)4(10)2-8;1-2(3)4/h3-12H,1-2H2;1H3,(H,3,4)/t3-,4-,5-,6-;/m1./s1
InChIKeyHIYBFMAWCFPXHH-MVNLRXSJSA-N
XLogP-3.49
TPSA158.68 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.22
LogP ≤ 5-3.49
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze acetic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol 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

acetic acid;azane;2,3,4,5,6-pentahydroxyhexanal
CID 174736438
acetic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal;(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal
CID 173049059
copper;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;diacetate
CID 159153251
acetic acid;(2R,3S,4R)-5-aminopentane-1,2,3,4-tetrol
CID 46915821
2,3,4,5,6-pentahydroxyhexanoic acid;bis(propan-2-one)
CID 174325080
(3S,4R,5S,6S)-3,4,5,6,7-pentahydroxyheptan-2-one
CID 122415477
tetrakis((E)-but-2-enoic acid);(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol
CID 175840392
hexane-1,2,3,4,5,6-hexol;methanol
CID 174767977
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
sodium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydrogen carbonate
CID 86586928

Frequently Asked Questions

What is the IUPAC name of acetic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol?
The IUPAC name of acetic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol (CID 155668282) is acetic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol.
What is the SMILES notation for acetic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol?
The canonical SMILES for acetic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol is CC(=O)O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of acetic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol?
The InChIKey is HIYBFMAWCFPXHH-MVNLRXSJSA-N. The full InChI is InChI=1S/C6H14O6.C2H4O2/c7-1-3(9)5(11)6(12)4(10)2-8;1-2(3)4/h3-12H,1-2H2;1H3,(H,3,4)/t3-,4-,5-,6-;/m1./s1.
What are the key properties of acetic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol?
acetic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol has a molecular weight of 242.22 g/mol, XLogP of -3.49, 5 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol is sourced from PubChem (CID 155668282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).