(2S,3R,4R,5R)-6-(deuteriomethoxy)hexane-1,2,3,4,5-pentol

C7H16O6 — CID 140946024

IUPAC(2S,3R,4R,5R)-6-(deuteriomethoxy)hexane-1,2,3,4,5-pentol
SMILES[2H]COC[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+/m0/s1/i1D
InChIKeyPUTTXFZTELBTST-FLVFXGKWSA-N
MW197.21 g/mol
LogP-2.93
Rot. Bonds7

About (2S,3R,4R,5R)-6-(deuteriomethoxy)hexane-1,2,3,4,5-pentol

(2S,3R,4R,5R)-6-(deuteriomethoxy)hexane-1,2,3,4,5-pentol (PubChem CID 140946024) has the molecular formula C7H16O6 and a molecular weight of 197.21 g/mol. Its IUPAC name is (2S,3R,4R,5R)-6-(deuteriomethoxy)hexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2S,3R,4R,5R)-6-(deuteriomethoxy)hexane-1,2,3,4,5-pentol
PubChem CID140946024
Molecular FormulaC7H16O6
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name(2S,3R,4R,5R)-6-(deuteriomethoxy)hexane-1,2,3,4,5-pentol
SMILES[2H]COC[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+/m0/s1/i1D
InChIKeyPUTTXFZTELBTST-FLVFXGKWSA-N
XLogP-2.93
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 5-2.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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

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Related Compounds

(2R,3R,4R,5R)-6-methoxyhexane-1,2,3,4,5-pentol
CID 18653298
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
(2R,3R,4R,5R)-6-[(2-methylpropan-2-yl)oxy]hexane-1,2,3,4,5-pentol
CID 170654409
(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;zinc
CID 88619828
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;iron
CID 173421469
CID 87266813
CID 87266813
CID 158428296
CID 158428296

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-6-(deuteriomethoxy)hexane-1,2,3,4,5-pentol?
The IUPAC name of (2S,3R,4R,5R)-6-(deuteriomethoxy)hexane-1,2,3,4,5-pentol (CID 140946024) is (2S,3R,4R,5R)-6-(deuteriomethoxy)hexane-1,2,3,4,5-pentol.
What is the SMILES notation for (2S,3R,4R,5R)-6-(deuteriomethoxy)hexane-1,2,3,4,5-pentol?
The canonical SMILES for (2S,3R,4R,5R)-6-(deuteriomethoxy)hexane-1,2,3,4,5-pentol is [2H]COC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.
What is the InChIKey of (2S,3R,4R,5R)-6-(deuteriomethoxy)hexane-1,2,3,4,5-pentol?
The InChIKey is PUTTXFZTELBTST-FLVFXGKWSA-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+/m0/s1/i1D.
What are the key properties of (2S,3R,4R,5R)-6-(deuteriomethoxy)hexane-1,2,3,4,5-pentol?
(2S,3R,4R,5R)-6-(deuteriomethoxy)hexane-1,2,3,4,5-pentol has a molecular weight of 197.21 g/mol, XLogP of -2.93, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-6-(deuteriomethoxy)hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 140946024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).