4-oxo-N-[(2S,3R,4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pentanamide

C11H19NO7 — CID 58545355

IUPAC4-oxo-N-[(2S,3R,4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pentanamide
SMILESCC(=O)CCC(=O)N[C@@H]1[C@@H](O)[C@@H](O)C(CO)O[C@@H]1O
InChIInChI=1S/C11H19NO7/c1-5(14)2-3-7(15)12-8-10(17)9(16)6(4-13)19-11(8)18/h6,8-11,13,16-18H,2-4H2,1H3,(H,12,15)/t6?,8-,9+,10-,11+/m1/s1
InChIKeyJLJZRAUDCHWQPS-FYEFVVGBSA-N
MW277.27 g/mol
LogP-2.73
Rot. Bonds5

About 4-oxo-N-[(2S,3R,4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pentanamide

4-oxo-N-[(2S,3R,4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pentanamide (PubChem CID 58545355) has the molecular formula C11H19NO7 and a molecular weight of 277.27 g/mol. Its IUPAC name is 4-oxo-N-[(2S,3R,4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pentanamide.

Molecular Properties

Compound Name4-oxo-N-[(2S,3R,4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pentanamide
PubChem CID58545355
Molecular FormulaC11H19NO7
Molecular Weight277.27 g/mol
Exact Mass277.12
IUPAC Name4-oxo-N-[(2S,3R,4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pentanamide
SMILESCC(=O)CCC(=O)N[C@@H]1[C@@H](O)[C@@H](O)C(CO)O[C@@H]1O
InChIInChI=1S/C11H19NO7/c1-5(14)2-3-7(15)12-8-10(17)9(16)6(4-13)19-11(8)18/h6,8-11,13,16-18H,2-4H2,1H3,(H,12,15)/t6?,8-,9+,10-,11+/m1/s1
InChIKeyJLJZRAUDCHWQPS-FYEFVVGBSA-N
XLogP-2.73
TPSA136.32 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 5-2.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 4-oxo-N-[(2S,3R,4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pentanamide with MolForge

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Related Compounds

4-oxo-N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pentanamide
CID 91483902
4-oxo-N-[(5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pentanamide
CID 59064645
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 90352171
N-[(5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 71235358
N-[(2R,4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 58852887
N-[(3S,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 11845328
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 122492503
N-[(2R,3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11861101
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 58718646
N-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11869611
N-[(3S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 16757753
N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide;hydrochloride
CID 132775552

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[(2S,3R,4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pentanamide?
The IUPAC name of 4-oxo-N-[(2S,3R,4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pentanamide (CID 58545355) is 4-oxo-N-[(2S,3R,4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pentanamide.
What is the SMILES notation for 4-oxo-N-[(2S,3R,4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pentanamide?
The canonical SMILES for 4-oxo-N-[(2S,3R,4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pentanamide is CC(=O)CCC(=O)N[C@@H]1[C@@H](O)[C@@H](O)C(CO)O[C@@H]1O.
What is the InChIKey of 4-oxo-N-[(2S,3R,4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pentanamide?
The InChIKey is JLJZRAUDCHWQPS-FYEFVVGBSA-N. The full InChI is InChI=1S/C11H19NO7/c1-5(14)2-3-7(15)12-8-10(17)9(16)6(4-13)19-11(8)18/h6,8-11,13,16-18H,2-4H2,1H3,(H,12,15)/t6?,8-,9+,10-,11+/m1/s1.
What are the key properties of 4-oxo-N-[(2S,3R,4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pentanamide?
4-oxo-N-[(2S,3R,4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pentanamide has a molecular weight of 277.27 g/mol, XLogP of -2.73, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[(2S,3R,4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pentanamide is sourced from PubChem (CID 58545355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).