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

C12H28O12 — CID 135394797

IUPAC(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO
InChIInChI=1S/2C6H14O6/c2*7-1-3(9)5(11)6(12)4(10)2-8/h2*3-12H,1-2H2/t2*3-,4-,5-,6-/m10/s1
InChIKeySWMBOMMGMHMOHE-ULDVYXPFSA-N
MW364.34 g/mol
LogP-7.17
Rot. Bonds10

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

(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol (PubChem CID 135394797) has the molecular formula C12H28O12 and a molecular weight of 364.34 g/mol. Its IUPAC name is (2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol.

Molecular Properties

Compound Name(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
PubChem CID135394797
Molecular FormulaC12H28O12
Molecular Weight364.34 g/mol
Exact Mass364.16
IUPAC Name(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO
InChIInChI=1S/2C6H14O6/c2*7-1-3(9)5(11)6(12)4(10)2-8/h2*3-12H,1-2H2/t2*3-,4-,5-,6-/m10/s1
InChIKeySWMBOMMGMHMOHE-ULDVYXPFSA-N
XLogP-7.17
TPSA242.76 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500364.34
LogP ≤ 5-7.17
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

Analyze (2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol with MolForge

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Launch Full Analysis

Related Compounds

(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
(3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
CID 87483282
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;iron
CID 173421469
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane
CID 155195650
CID 87266813
CID 87266813
CID 158428296
CID 158428296
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc
CID 88619828
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;methane
CID 159810925
heptane-1,2,3,4,5,6,7-heptol;hydroiodide
CID 126649290
lithium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydride
CID 173340002
hexane-1,2,3,4,5,6-hexol;methanol
CID 174767977

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol?
The IUPAC name of (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) is (2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol.
What is the SMILES notation for (2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol?
The canonical SMILES for (2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol is OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO.
What is the InChIKey of (2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol?
The InChIKey is SWMBOMMGMHMOHE-ULDVYXPFSA-N. The full InChI is InChI=1S/2C6H14O6/c2*7-1-3(9)5(11)6(12)4(10)2-8/h2*3-12H,1-2H2/t2*3-,4-,5-,6-/m10/s1.
What are the key properties of (2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol?
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol has a molecular weight of 364.34 g/mol, XLogP of -7.17, 10 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol is sourced from PubChem (CID 135394797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).