5-amino-2,4,6-trihydroxyhexan-3-one

C6H13NO4 — CID 150230549

IUPAC5-amino-2,4,6-trihydroxyhexan-3-one
SMILESCC(O)C(=O)C(O)C(N)CO
InChIInChI=1S/C6H13NO4/c1-3(9)5(10)6(11)4(7)2-8/h3-4,6,8-9,11H,2,7H2,1H3
InChIKeyFVJOZQNBIZHALH-UHFFFAOYSA-N
MW163.17 g/mol
LogP-2.38
Rot. Bonds4

About 5-amino-2,4,6-trihydroxyhexan-3-one

5-amino-2,4,6-trihydroxyhexan-3-one (PubChem CID 150230549) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is 5-amino-2,4,6-trihydroxyhexan-3-one.

Molecular Properties

Compound Name5-amino-2,4,6-trihydroxyhexan-3-one
PubChem CID150230549
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name5-amino-2,4,6-trihydroxyhexan-3-one
SMILESCC(O)C(=O)C(O)C(N)CO
InChIInChI=1S/C6H13NO4/c1-3(9)5(10)6(11)4(7)2-8/h3-4,6,8-9,11H,2,7H2,1H3
InChIKeyFVJOZQNBIZHALH-UHFFFAOYSA-N
XLogP-2.38
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-2.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4R,5S)-5-amino-2,4,6-trihydroxy-1-methoxyhexan-3-one
CID 54374822
3-amino-2,4-dihydroxybutanoic acid
CID 14888070
(4R,5S,6R,7R)-2,4,5,6,7,8-hexahydroxyoctan-3-one
CID 174187958
(2S)-2-amino-3-methylbutan-1-ol;2-amino-3-methylbutan-1-ol
CID 87115699
[(2R)-1-hydroxypropan-2-yl] (2S)-2-hydroxypropanoate
CID 167060953
(2S,3S,5R)-1,2,3,5,6-pentahydroxyheptan-4-one
CID 54092437
2-aminopropan-1-ol;hydrofluoride
CID 22617394
copper;bis((2S)-2-amino-3-methylbutan-1-ol);diacetate
CID 162004423
(5S,6R,7R)-1,2-diamino-3,5,6,7,8-pentahydroxyoctan-4-one
CID 91559405
2-hydroxypropanoyl (2R)-2-amino-3-hydroxypropanoate
CID 118649421
(3S)-2-amino-4-iminopentane-1,3-diol
CID 89425663
(2R,3S)-2-amino-3-hydroxybutanoic acid;(2R)-2-amino-3-hydroxypropanoic acid
CID 87257146

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4,6-trihydroxyhexan-3-one?
The IUPAC name of 5-amino-2,4,6-trihydroxyhexan-3-one (CID 150230549) is 5-amino-2,4,6-trihydroxyhexan-3-one.
What is the SMILES notation for 5-amino-2,4,6-trihydroxyhexan-3-one?
The canonical SMILES for 5-amino-2,4,6-trihydroxyhexan-3-one is CC(O)C(=O)C(O)C(N)CO.
What is the InChIKey of 5-amino-2,4,6-trihydroxyhexan-3-one?
The InChIKey is FVJOZQNBIZHALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4/c1-3(9)5(10)6(11)4(7)2-8/h3-4,6,8-9,11H,2,7H2,1H3.
What are the key properties of 5-amino-2,4,6-trihydroxyhexan-3-one?
5-amino-2,4,6-trihydroxyhexan-3-one has a molecular weight of 163.17 g/mol, XLogP of -2.38, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4,6-trihydroxyhexan-3-one is sourced from PubChem (CID 150230549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).