2,5,5,6,6-pentahydroxyhexanamide

C6H13NO6 — CID 145336879

IUPAC2,5,5,6,6-pentahydroxyhexanamide
SMILESNC(=O)C(O)CCC(O)(O)C(O)O
InChIInChI=1S/C6H13NO6/c7-4(9)3(8)1-2-6(12,13)5(10)11/h3,5,8,10-13H,1-2H2,(H2,7,9)
InChIKeyZFOZVGRPMNDRAP-UHFFFAOYSA-N
MW195.17 g/mol
LogP-3.40
Rot. Bonds5

About 2,5,5,6,6-pentahydroxyhexanamide

2,5,5,6,6-pentahydroxyhexanamide (PubChem CID 145336879) has the molecular formula C6H13NO6 and a molecular weight of 195.17 g/mol. Its IUPAC name is 2,5,5,6,6-pentahydroxyhexanamide.

Molecular Properties

Compound Name2,5,5,6,6-pentahydroxyhexanamide
PubChem CID145336879
Molecular FormulaC6H13NO6
Molecular Weight195.17 g/mol
Exact Mass195.07
IUPAC Name2,5,5,6,6-pentahydroxyhexanamide
SMILESNC(=O)C(O)CCC(O)(O)C(O)O
InChIInChI=1S/C6H13NO6/c7-4(9)3(8)1-2-6(12,13)5(10)11/h3,5,8,10-13H,1-2H2,(H2,7,9)
InChIKeyZFOZVGRPMNDRAP-UHFFFAOYSA-N
XLogP-3.40
TPSA144.24 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500195.17
LogP ≤ 5-3.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-hydroxypentanediamide
CID 559184
(2S)-2-hydroxy-4-iodobutanamide
CID 143841991
2-hydroxyoctadecanamide
CID 14598043
2-hydroxy-6-oxohexanamide
CID 175466908
2-hydroxybutanamide;hydrochloride
CID 87384831
5-ethylsulfanyl-2-hydroxypentanamide
CID 141016967
2-hydroxy-4-oxopentanamide
CID 54002232
potassium 4-amino-3-hydroxy-4-oxobutanoate
CID 75480412
2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-ethylbutanamide
CID 106175610
2-hydroxy-4-(4-iodophenyl)butanamide
CID 154976499
3-(dimethylamino)-2-hydroxypropanamide;hydrochloride
CID 89312207
2-hydroxy-8-phenyloctanamide
CID 66822616

Frequently Asked Questions

What is the IUPAC name of 2,5,5,6,6-pentahydroxyhexanamide?
The IUPAC name of 2,5,5,6,6-pentahydroxyhexanamide (CID 145336879) is 2,5,5,6,6-pentahydroxyhexanamide.
What is the SMILES notation for 2,5,5,6,6-pentahydroxyhexanamide?
The canonical SMILES for 2,5,5,6,6-pentahydroxyhexanamide is NC(=O)C(O)CCC(O)(O)C(O)O.
What is the InChIKey of 2,5,5,6,6-pentahydroxyhexanamide?
The InChIKey is ZFOZVGRPMNDRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO6/c7-4(9)3(8)1-2-6(12,13)5(10)11/h3,5,8,10-13H,1-2H2,(H2,7,9).
What are the key properties of 2,5,5,6,6-pentahydroxyhexanamide?
2,5,5,6,6-pentahydroxyhexanamide has a molecular weight of 195.17 g/mol, XLogP of -3.40, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5,6,6-pentahydroxyhexanamide is sourced from PubChem (CID 145336879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).