formic acid;hexane-1,2,3,4,5,6-hexol

C7H16O8 — CID 139544091

IUPACformic acid;hexane-1,2,3,4,5,6-hexol
SMILESO=CO.OCC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C6H14O6.CH2O2/c7-1-3(9)5(11)6(12)4(10)2-8;2-1-3/h3-12H,1-2H2;1H,(H,2,3)
InChIKeyWOLLBDVIMAUZRW-UHFFFAOYSA-N
MW228.20 g/mol
LogP-3.88
Rot. Bonds5

About formic acid;hexane-1,2,3,4,5,6-hexol

formic acid;hexane-1,2,3,4,5,6-hexol (PubChem CID 139544091) has the molecular formula C7H16O8 and a molecular weight of 228.20 g/mol. Its IUPAC name is formic acid;hexane-1,2,3,4,5,6-hexol.

Molecular Properties

Compound Nameformic acid;hexane-1,2,3,4,5,6-hexol
PubChem CID139544091
Molecular FormulaC7H16O8
Molecular Weight228.20 g/mol
Exact Mass228.08
IUPAC Nameformic acid;hexane-1,2,3,4,5,6-hexol
SMILESO=CO.OCC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C6H14O6.CH2O2/c7-1-3(9)5(11)6(12)4(10)2-8;2-1-3/h3-12H,1-2H2;1H,(H,2,3)
InChIKeyWOLLBDVIMAUZRW-UHFFFAOYSA-N
XLogP-3.88
TPSA158.68 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.20
LogP ≤ 5-3.88
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87227969
(2S)-2,3,4,5,6-pentahydroxyhexanal
CID 89242343
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87772987
(3R,4R)-2,3,4,5,6-pentahydroxyhexanal
CID 130245293
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 86597567
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 3037556
(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;iron
CID 173421469
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane
CID 155195650

Frequently Asked Questions

What is the IUPAC name of formic acid;hexane-1,2,3,4,5,6-hexol?
The IUPAC name of formic acid;hexane-1,2,3,4,5,6-hexol (CID 139544091) is formic acid;hexane-1,2,3,4,5,6-hexol.
What is the SMILES notation for formic acid;hexane-1,2,3,4,5,6-hexol?
The canonical SMILES for formic acid;hexane-1,2,3,4,5,6-hexol is O=CO.OCC(O)C(O)C(O)C(O)CO.
What is the InChIKey of formic acid;hexane-1,2,3,4,5,6-hexol?
The InChIKey is WOLLBDVIMAUZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O6.CH2O2/c7-1-3(9)5(11)6(12)4(10)2-8;2-1-3/h3-12H,1-2H2;1H,(H,2,3).
What are the key properties of formic acid;hexane-1,2,3,4,5,6-hexol?
formic acid;hexane-1,2,3,4,5,6-hexol has a molecular weight of 228.20 g/mol, XLogP of -3.88, 5 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;hexane-1,2,3,4,5,6-hexol is sourced from PubChem (CID 139544091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).