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

C7H18O6 — CID 155195650

IUPAC(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane
SMILESC.OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H14O6.CH4/c7-1-3(9)5(11)6(12)4(10)2-8;/h3-12H,1-2H2;1H4/t3-,4-,5-,6-;/m1./s1
InChIKeyVSUBFWAJMZRELE-MVNLRXSJSA-N
MW198.21 g/mol
LogP-2.95
Rot. Bonds5

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

(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane (PubChem CID 155195650) has the molecular formula C7H18O6 and a molecular weight of 198.21 g/mol. Its IUPAC name is (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane.

Molecular Properties

Compound Name(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane
PubChem CID155195650
Molecular FormulaC7H18O6
Molecular Weight198.21 g/mol
Exact Mass198.11
IUPAC Name(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane
SMILESC.OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H14O6.CH4/c7-1-3(9)5(11)6(12)4(10)2-8;/h3-12H,1-2H2;1H4/t3-,4-,5-,6-;/m1./s1
InChIKeyVSUBFWAJMZRELE-MVNLRXSJSA-N
XLogP-2.95
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.21
LogP ≤ 5-2.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;methane
CID 159810925
(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,5S)-hexane-1,2,3,4,5,6-hexol;iron
CID 173421469
CID 87266813
CID 87266813
(3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
CID 87483282
CID 158428296
CID 158428296
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc
CID 88619828
hexane-1,2,3,4,5,6-hexol;methanol
CID 174767977
alumane;(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;hydrate
CID 173000212
heptane-1,2,3,4,5,6,7-heptol;hydroiodide
CID 126649290

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane?
The IUPAC name of (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane (CID 155195650) is (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane.
What is the SMILES notation for (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane?
The canonical SMILES for (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane is C.OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane?
The InChIKey is VSUBFWAJMZRELE-MVNLRXSJSA-N. The full InChI is InChI=1S/C6H14O6.CH4/c7-1-3(9)5(11)6(12)4(10)2-8;/h3-12H,1-2H2;1H4/t3-,4-,5-,6-;/m1./s1.
What are the key properties of (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane?
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane has a molecular weight of 198.21 g/mol, XLogP of -2.95, 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)-hexane-1,2,3,4,5,6-hexol;methane is sourced from PubChem (CID 155195650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).