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

C6H14O6Zn — CID 88619828

IUPAC(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.[Zn]
InChIInChI=1S/C6H14O6.Zn/c7-1-3(9)5(11)6(12)4(10)2-8;/h3-12H,1-2H2;/t3-,4+,5-,6-;/m1./s1
InChIKeyOBAMUQIVAQZOPE-VFQQELCFSA-N
MW247.56 g/mol
LogP-3.59
Rot. Bonds5

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

(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc (PubChem CID 88619828) has the molecular formula C6H14O6Zn and a molecular weight of 247.56 g/mol. Its IUPAC name is (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc.

Molecular Properties

Compound Name(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc
PubChem CID88619828
Molecular FormulaC6H14O6Zn
Molecular Weight247.56 g/mol
Exact Mass246.01
IUPAC Name(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.[Zn]
InChIInChI=1S/C6H14O6.Zn/c7-1-3(9)5(11)6(12)4(10)2-8;/h3-12H,1-2H2;/t3-,4+,5-,6-;/m1./s1
InChIKeyOBAMUQIVAQZOPE-VFQQELCFSA-N
XLogP-3.59
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.56
LogP ≤ 5-3.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc with MolForge

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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
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;methane
CID 159810925
heptane-1,2,3,4,5,6,7-heptol;hydroiodide
CID 126649290
lithium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydride
CID 173340002
heptane-1,2,3,4,5,6,7-heptol;hydrochloride
CID 126649386

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc?
The IUPAC name of (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc (CID 88619828) is (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc.
What is the SMILES notation for (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc?
The canonical SMILES for (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc is OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.[Zn].
What is the InChIKey of (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc?
The InChIKey is OBAMUQIVAQZOPE-VFQQELCFSA-N. The full InChI is InChI=1S/C6H14O6.Zn/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 (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc?
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc has a molecular weight of 247.56 g/mol, XLogP of -3.59, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc is sourced from PubChem (CID 88619828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).