(2R,3R,4R,5R)-3-methylhexane-1,2,3,4,5,6-hexol

C7H16O6 — CID 54330413

IUPAC(2R,3R,4R,5R)-3-methylhexane-1,2,3,4,5,6-hexol
SMILESC[C@@](O)([C@H](O)CO)[C@H](O)[C@H](O)CO
InChIInChI=1S/C7H16O6/c1-7(13,5(11)3-9)6(12)4(10)2-8/h4-6,8-13H,2-3H2,1H3/t4-,5-,6-,7-/m1/s1
InChIKeySXYJOSUUQAWDDF-DBRKOABJSA-N
MW196.20 g/mol
LogP-3.20
Rot. Bonds5

About (2R,3R,4R,5R)-3-methylhexane-1,2,3,4,5,6-hexol

(2R,3R,4R,5R)-3-methylhexane-1,2,3,4,5,6-hexol (PubChem CID 54330413) has the molecular formula C7H16O6 and a molecular weight of 196.20 g/mol. Its IUPAC name is (2R,3R,4R,5R)-3-methylhexane-1,2,3,4,5,6-hexol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-3-methylhexane-1,2,3,4,5,6-hexol
PubChem CID54330413
Molecular FormulaC7H16O6
Molecular Weight196.20 g/mol
Exact Mass196.09
IUPAC Name(2R,3R,4R,5R)-3-methylhexane-1,2,3,4,5,6-hexol
SMILESC[C@@](O)([C@H](O)CO)[C@H](O)[C@H](O)CO
InChIInChI=1S/C7H16O6/c1-7(13,5(11)3-9)6(12)4(10)2-8/h4-6,8-13H,2-3H2,1H3/t4-,5-,6-,7-/m1/s1
InChIKeySXYJOSUUQAWDDF-DBRKOABJSA-N
XLogP-3.20
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.20
LogP ≤ 5-3.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

2,3,4,5,6-pentahydroxy-3-methylhexanoic acid
CID 18957545
hexane-1,2,3,3,4,5,6-heptol
CID 59979821
(2R,3R,4R)-2,3,4,5-tetrahydroxy-2-methylpentanal
CID 18341048
4-methyloctane-3,4,5,6-tetrol
CID 135222471
(2R,3R,4R,5S)-3-(2-phenylpropan-2-yl)hexane-1,2,3,4,5,6-hexol
CID 174641507
2-ethylpentane-1,2,3,4,5-pentol
CID 118685855
(2S,3R,4R)-2-acetyl-2,3,4,5-tetrahydroxypentanal
CID 20638965
6-amino-5-methylhexane-1,2,3,4,5-pentol
CID 174511102
4,5,6,7-tetrahydroxy-3-methoxy-3,4-dimethylheptan-2-one
CID 22600717
3,3,4,5-tetrahydroxypentanal
CID 142797222
4-methylpentane-1,2,3,3-tetrol
CID 139934593
phosphoric acid;(2R,3R)-2,3,4-trihydroxy-2-methylbutanal
CID 159198824

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-3-methylhexane-1,2,3,4,5,6-hexol?
The IUPAC name of (2R,3R,4R,5R)-3-methylhexane-1,2,3,4,5,6-hexol (CID 54330413) is (2R,3R,4R,5R)-3-methylhexane-1,2,3,4,5,6-hexol.
What is the SMILES notation for (2R,3R,4R,5R)-3-methylhexane-1,2,3,4,5,6-hexol?
The canonical SMILES for (2R,3R,4R,5R)-3-methylhexane-1,2,3,4,5,6-hexol is C[C@@](O)([C@H](O)CO)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4R,5R)-3-methylhexane-1,2,3,4,5,6-hexol?
The InChIKey is SXYJOSUUQAWDDF-DBRKOABJSA-N. The full InChI is InChI=1S/C7H16O6/c1-7(13,5(11)3-9)6(12)4(10)2-8/h4-6,8-13H,2-3H2,1H3/t4-,5-,6-,7-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-3-methylhexane-1,2,3,4,5,6-hexol?
(2R,3R,4R,5R)-3-methylhexane-1,2,3,4,5,6-hexol has a molecular weight of 196.20 g/mol, XLogP of -3.20, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-3-methylhexane-1,2,3,4,5,6-hexol is sourced from PubChem (CID 54330413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).