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

C10H23NO9 — CID 174656695

IUPAC2-amino-3-hydroxybutanoic acid;hexane-1,2,3,4,5,6-hexol
SMILESCC(O)C(N)C(=O)O.OCC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C6H14O6.C4H9NO3/c7-1-3(9)5(11)6(12)4(10)2-8;1-2(6)3(5)4(7)8/h3-12H,1-2H2;2-3,6H,5H2,1H3,(H,7,8)
InChIKeyQAELSFZDOPSLCR-UHFFFAOYSA-N
MW301.29 g/mol
LogP-4.81
Rot. Bonds7

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

2-amino-3-hydroxybutanoic acid;hexane-1,2,3,4,5,6-hexol (PubChem CID 174656695) has the molecular formula C10H23NO9 and a molecular weight of 301.29 g/mol. Its IUPAC name is 2-amino-3-hydroxybutanoic acid;hexane-1,2,3,4,5,6-hexol.

Molecular Properties

Compound Name2-amino-3-hydroxybutanoic acid;hexane-1,2,3,4,5,6-hexol
PubChem CID174656695
Molecular FormulaC10H23NO9
Molecular Weight301.29 g/mol
Exact Mass301.14
IUPAC Name2-amino-3-hydroxybutanoic acid;hexane-1,2,3,4,5,6-hexol
SMILESCC(O)C(N)C(=O)O.OCC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C6H14O6.C4H9NO3/c7-1-3(9)5(11)6(12)4(10)2-8;1-2(6)3(5)4(7)8/h3-12H,1-2H2;2-3,6H,5H2,1H3,(H,7,8)
InChIKeyQAELSFZDOPSLCR-UHFFFAOYSA-N
XLogP-4.81
TPSA204.93 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.29
LogP ≤ 5-4.81
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

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Related Compounds

2-aminopropanoic acid;hexane-1,2,3,4,5,6-hexol
CID 174331247
(2R,3S)-2-amino-3-hydroxybutanoic acid;(2R)-2-amino-3-hydroxypropanoic acid
CID 87257146
(2S,3S)-2-amino-3-methylpentanoic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 86617048
(2S,3S,4S)-2-amino-3,4,5-trihydroxypentanoic acid
CID 11126623
(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218
(2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride
CID 122360052
(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-aminopropanoic acid
CID 87194816
(2S,3R)-2-amino-3-hydroxybutanoic acid;propan-1-ol
CID 174830417
(4S,5R,6R,7S,8R)-5-acetamido-4,6,7,8,9-pentahydroxy-2-oxononanoic acid;2-amino-3-hydroxybutanoic acid
CID 87655537
2-amino-3-hydroxybutanoic acid;urea
CID 174908114
potassium;sodium;2-amino-3-hydroxybutanoic acid;hydride
CID 175449231
CID 87185843
CID 87185843

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxybutanoic acid;hexane-1,2,3,4,5,6-hexol?
The IUPAC name of 2-amino-3-hydroxybutanoic acid;hexane-1,2,3,4,5,6-hexol (CID 174656695) is 2-amino-3-hydroxybutanoic acid;hexane-1,2,3,4,5,6-hexol.
What is the SMILES notation for 2-amino-3-hydroxybutanoic acid;hexane-1,2,3,4,5,6-hexol?
The canonical SMILES for 2-amino-3-hydroxybutanoic acid;hexane-1,2,3,4,5,6-hexol is CC(O)C(N)C(=O)O.OCC(O)C(O)C(O)C(O)CO.
What is the InChIKey of 2-amino-3-hydroxybutanoic acid;hexane-1,2,3,4,5,6-hexol?
The InChIKey is QAELSFZDOPSLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O6.C4H9NO3/c7-1-3(9)5(11)6(12)4(10)2-8;1-2(6)3(5)4(7)8/h3-12H,1-2H2;2-3,6H,5H2,1H3,(H,7,8).
What are the key properties of 2-amino-3-hydroxybutanoic acid;hexane-1,2,3,4,5,6-hexol?
2-amino-3-hydroxybutanoic acid;hexane-1,2,3,4,5,6-hexol has a molecular weight of 301.29 g/mol, XLogP of -4.81, 7 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxybutanoic acid;hexane-1,2,3,4,5,6-hexol is sourced from PubChem (CID 174656695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).