CID 158428296

C6H14O6Se — CID 158428296

IUPAC—
SMILESOC[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO.[Se]
InChIInChI=1S/C6H14O6.Se/c7-1-3(9)5(11)6(12)4(10)2-8;/h3-12H,1-2H2;/t3-,4-,5-,6+;/m1./s1
InChIKeyHBIHIKROMMIZIC-ILLHIODVSA-N
MW261.13 g/mol
LogP-3.97
Rot. Bonds5

About CID 158428296

CID 158428296 (PubChem CID 158428296) has the molecular formula C6H14O6Se and a molecular weight of 261.13 g/mol.

Molecular Properties

Compound NameCID 158428296
PubChem CID158428296
Molecular FormulaC6H14O6Se
Molecular Weight261.13 g/mol
Exact Mass262.00
IUPAC Name—
SMILESOC[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO.[Se]
InChIInChI=1S/C6H14O6.Se/c7-1-3(9)5(11)6(12)4(10)2-8;/h3-12H,1-2H2;/t3-,4-,5-,6+;/m1./s1
InChIKeyHBIHIKROMMIZIC-ILLHIODVSA-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 ≤ 500261.13
LogP ≤ 5-3.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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
(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
lithium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydride
CID 173340002
hexane-1,2,3,4,5,6-hexol;methanol
CID 174767977

Frequently Asked Questions

What is the IUPAC name of CID 158428296?
The IUPAC name of CID 158428296 (CID 158428296) is not available.
What is the SMILES notation for CID 158428296?
The canonical SMILES for CID 158428296 is OC[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO.[Se].
What is the InChIKey of CID 158428296?
The InChIKey is HBIHIKROMMIZIC-ILLHIODVSA-N. The full InChI is InChI=1S/C6H14O6.Se/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 158428296?
CID 158428296 has a molecular weight of 261.13 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 158428296 is sourced from PubChem (CID 158428296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).