CID 87266813

C6H14KO6 — CID 87266813

IUPAC—
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.[K]
InChIInChI=1S/C6H14O6.K/c7-1-3(9)5(11)6(12)4(10)2-8;/h3-12H,1-2H2;/t3-,4+,5-,6-;/m1./s1
InChIKeyFBWXMTQQIWGGKY-VFQQELCFSA-N
MW221.27 g/mol
LogP-3.97
Rot. Bonds5

About CID 87266813

CID 87266813 (PubChem CID 87266813) has the molecular formula C6H14KO6 and a molecular weight of 221.27 g/mol.

Molecular Properties

Compound NameCID 87266813
PubChem CID87266813
Molecular FormulaC6H14KO6
Molecular Weight221.27 g/mol
Exact Mass221.04
IUPAC Name—
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.[K]
InChIInChI=1S/C6H14O6.K/c7-1-3(9)5(11)6(12)4(10)2-8;/h3-12H,1-2H2;/t3-,4+,5-,6-;/m1./s1
InChIKeyFBWXMTQQIWGGKY-VFQQELCFSA-N
XLogP-3.97
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500221.27
LogP ≤ 5-3.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

(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
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane
CID 155195650
(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
(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
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

Frequently Asked Questions

What is the IUPAC name of CID 87266813?
The IUPAC name of CID 87266813 (CID 87266813) is not available.
What is the SMILES notation for CID 87266813?
The canonical SMILES for CID 87266813 is OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.[K].
What is the InChIKey of CID 87266813?
The InChIKey is FBWXMTQQIWGGKY-VFQQELCFSA-N. The full InChI is InChI=1S/C6H14O6.K/c7-1-3(9)5(11)6(12)4(10)2-8;/h3-12H,1-2H2;/t3-,4+,5-,6-;/m1./s1.
What are the key properties of CID 87266813?
CID 87266813 has a molecular weight of 221.27 g/mol, XLogP of -3.97, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87266813 is sourced from PubChem (CID 87266813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).