butanoic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol

C10H22O8 — CID 122613100

IUPACbutanoic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
SMILESCCCC(=O)O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H14O6.C4H8O2/c7-1-3(9)5(11)6(12)4(10)2-8;1-2-3-4(5)6/h3-12H,1-2H2;2-3H2,1H3,(H,5,6)/t3-,4-,5-,6-;/m1./s1
InChIKeyWVPCPCQVIROSLM-MVNLRXSJSA-N
MW270.28 g/mol
LogP-2.71
Rot. Bonds7

About butanoic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol

butanoic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol (PubChem CID 122613100) has the molecular formula C10H22O8 and a molecular weight of 270.28 g/mol. Its IUPAC name is butanoic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol.

Molecular Properties

Compound Namebutanoic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
PubChem CID122613100
Molecular FormulaC10H22O8
Molecular Weight270.28 g/mol
Exact Mass270.13
IUPAC Namebutanoic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
SMILESCCCC(=O)O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H14O6.C4H8O2/c7-1-3(9)5(11)6(12)4(10)2-8;1-2-3-4(5)6/h3-12H,1-2H2;2-3H2,1H3,(H,5,6)/t3-,4-,5-,6-;/m1./s1
InChIKeyWVPCPCQVIROSLM-MVNLRXSJSA-N
XLogP-2.71
TPSA158.68 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.28
LogP ≤ 5-2.71
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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

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Related Compounds

butanoic acid;(2R,4S)-pentane-1,2,3,4,5-pentol
CID 87746367
butanoic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 157169982
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;tetradecanoic acid
CID 122611223
dodecanoic acid;ethene;hexane-1,2,3,4,5,6-hexol
CID 174898037
octanoic acid;(2R,4S)-pentane-1,2,3,4,5-pentol
CID 86758342
4,5,6,7,8-pentahydroxyoctanoic acid
CID 87558664
acetic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 155668282
magnesium;butanoic acid;hydride;propane-1,2,3-triol
CID 175320082
butanoic acid;2,3-dihydroxypropanoic acid
CID 161118248
octadecanoic acid;3,4,5,6,7-pentahydroxyheptan-2-one
CID 174582302
tris(decanoic acid);bis((3R,4S,5R,6R)-3,4,5,6,7-pentahydroxyheptan-2-one)
CID 158056245
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(Z)-octadec-9-enoic acid
CID 175926566

Frequently Asked Questions

What is the IUPAC name of butanoic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol?
The IUPAC name of butanoic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol (CID 122613100) is butanoic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol.
What is the SMILES notation for butanoic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol?
The canonical SMILES for butanoic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol is CCCC(=O)O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of butanoic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol?
The InChIKey is WVPCPCQVIROSLM-MVNLRXSJSA-N. The full InChI is InChI=1S/C6H14O6.C4H8O2/c7-1-3(9)5(11)6(12)4(10)2-8;1-2-3-4(5)6/h3-12H,1-2H2;2-3H2,1H3,(H,5,6)/t3-,4-,5-,6-;/m1./s1.
What are the key properties of butanoic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol?
butanoic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol has a molecular weight of 270.28 g/mol, XLogP of -2.71, 7 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butanoic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol is sourced from PubChem (CID 122613100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).