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

C6H15LiO6 — CID 173340002

IUPAClithium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydride
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.[H-].[Li+]
InChIInChI=1S/C6H14O6.Li.H/c7-1-3(9)5(11)6(12)4(10)2-8;;/h3-12H,1-2H2;;/q;+1;-1/t3-,4+,5-,6-;;/m1../s1
InChIKeyXTLRYDWXNNPUSF-MGXNYLRYSA-N
MW190.12 g/mol
LogP-6.47
Rot. Bonds5

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

lithium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydride (PubChem CID 173340002) has the molecular formula C6H15LiO6 and a molecular weight of 190.12 g/mol. Its IUPAC name is lithium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydride.

Molecular Properties

Compound Namelithium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydride
PubChem CID173340002
Molecular FormulaC6H15LiO6
Molecular Weight190.12 g/mol
Exact Mass190.10
IUPAC Namelithium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydride
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.[H-].[Li+]
InChIInChI=1S/C6H14O6.Li.H/c7-1-3(9)5(11)6(12)4(10)2-8;;/h3-12H,1-2H2;;/q;+1;-1/t3-,4+,5-,6-;;/m1../s1
InChIKeyXTLRYDWXNNPUSF-MGXNYLRYSA-N
XLogP-6.47
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500190.12
LogP ≤ 5-6.47
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze lithium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydride 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;zinc
CID 88619828
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;methane
CID 159810925
heptane-1,2,3,4,5,7-hexol
CID 88922638
heptane-1,2,3,4,5,6,7-heptol;hydroiodide
CID 126649290

Frequently Asked Questions

What is the IUPAC name of lithium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydride?
The IUPAC name of lithium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydride (CID 173340002) is lithium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydride.
What is the SMILES notation for lithium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydride?
The canonical SMILES for lithium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydride is OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.[H-].[Li+].
What is the InChIKey of lithium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydride?
The InChIKey is XTLRYDWXNNPUSF-MGXNYLRYSA-N. The full InChI is InChI=1S/C6H14O6.Li.H/c7-1-3(9)5(11)6(12)4(10)2-8;;/h3-12H,1-2H2;;/q;+1;-1/t3-,4+,5-,6-;;/m1../s1.
What are the key properties of lithium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydride?
lithium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydride has a molecular weight of 190.12 g/mol, XLogP of -6.47, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydride is sourced from PubChem (CID 173340002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).