(2R,3R,4R,5R)-6-methoxyhexane-1,2,3,4,5-pentol

C7H16O6 — CID 18653298

IUPAC(2R,3R,4R,5R)-6-methoxyhexane-1,2,3,4,5-pentol
SMILESCOC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C7H16O6/c1-13-3-5(10)7(12)6(11)4(9)2-8/h4-12H,2-3H2,1H3/t4-,5-,6-,7-/m1/s1
InChIKeyPUTTXFZTELBTST-DBRKOABJSA-N
MW196.20 g/mol
LogP-2.93
Rot. Bonds6

About (2R,3R,4R,5R)-6-methoxyhexane-1,2,3,4,5-pentol

(2R,3R,4R,5R)-6-methoxyhexane-1,2,3,4,5-pentol (PubChem CID 18653298) has the molecular formula C7H16O6 and a molecular weight of 196.20 g/mol. Its IUPAC name is (2R,3R,4R,5R)-6-methoxyhexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-6-methoxyhexane-1,2,3,4,5-pentol
PubChem CID18653298
Molecular FormulaC7H16O6
Molecular Weight196.20 g/mol
Exact Mass196.09
IUPAC Name(2R,3R,4R,5R)-6-methoxyhexane-1,2,3,4,5-pentol
SMILESCOC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C7H16O6/c1-13-3-5(10)7(12)6(11)4(9)2-8/h4-12H,2-3H2,1H3/t4-,5-,6-,7-/m1/s1
InChIKeyPUTTXFZTELBTST-DBRKOABJSA-N
XLogP-2.93
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 5-2.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3R,4R,5R)-6-(deuteriomethoxy)hexane-1,2,3,4,5-pentol
CID 140946024
(2R,3R,4S,5R)-5,6-dimethoxyhexane-1,2,3,4-tetrol
CID 88961080
bis(cyclohexane-1,2,3,4,5,6-hexol);hexane-1,2,3,4,5,6-hexol
CID 159403758
hydron;(2R,3R,4R,5S)-6-(methylaminooxy)hexane-1,2,3,4,5-pentol
CID 90358888
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
(4R)-1-methoxypentane-2,3,4-triol
CID 174089991
6-(2-hydroxyethoxy)hexane-1,2,3,4,5-pentol
CID 22287921
(2R,3R,4R)-1-(2-methoxyethoxy)pentane-1,2,3,4,5-pentol
CID 141446098
(2S,3S,4R)-5,5-dimethoxypentane-1,2,3,4-tetrol
CID 148549371

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-6-methoxyhexane-1,2,3,4,5-pentol?
The IUPAC name of (2R,3R,4R,5R)-6-methoxyhexane-1,2,3,4,5-pentol (CID 18653298) is (2R,3R,4R,5R)-6-methoxyhexane-1,2,3,4,5-pentol.
What is the SMILES notation for (2R,3R,4R,5R)-6-methoxyhexane-1,2,3,4,5-pentol?
The canonical SMILES for (2R,3R,4R,5R)-6-methoxyhexane-1,2,3,4,5-pentol is COC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4R,5R)-6-methoxyhexane-1,2,3,4,5-pentol?
The InChIKey is PUTTXFZTELBTST-DBRKOABJSA-N. The full InChI is InChI=1S/C7H16O6/c1-13-3-5(10)7(12)6(11)4(9)2-8/h4-12H,2-3H2,1H3/t4-,5-,6-,7-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-6-methoxyhexane-1,2,3,4,5-pentol?
(2R,3R,4R,5R)-6-methoxyhexane-1,2,3,4,5-pentol has a molecular weight of 196.20 g/mol, XLogP of -2.93, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-6-methoxyhexane-1,2,3,4,5-pentol is sourced from PubChem (CID 18653298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).