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

C15H29NO7 — CID 101452624

IUPAC2-hydroxy-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]nonanamide
SMILESCCCCCCCC(O)C(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H29NO7/c1-2-3-4-5-6-7-9(18)14(21)16-11-13(20)12(19)10(8-17)23-15(11)22/h9-13,15,17-20,22H,2-8H2,1H3,(H,16,21)/t9?,10-,11-,12-,13-,15?/m1/s1
InChIKeyUTDGBVIIHTVEHN-FQWOBMNVSA-N
MW335.40 g/mol
LogP-1.38
Rot. Bonds9

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

2-hydroxy-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]nonanamide (PubChem CID 101452624) has the molecular formula C15H29NO7 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-hydroxy-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]nonanamide.

Molecular Properties

Compound Name2-hydroxy-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]nonanamide
PubChem CID101452624
Molecular FormulaC15H29NO7
Molecular Weight335.40 g/mol
Exact Mass335.19
IUPAC Name2-hydroxy-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]nonanamide
SMILESCCCCCCCC(O)C(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H29NO7/c1-2-3-4-5-6-7-9(18)14(21)16-11-13(20)12(19)10(8-17)23-15(11)22/h9-13,15,17-20,22H,2-8H2,1H3,(H,16,21)/t9?,10-,11-,12-,13-,15?/m1/s1
InChIKeyUTDGBVIIHTVEHN-FQWOBMNVSA-N
XLogP-1.38
TPSA139.48 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.40
LogP ≤ 5-1.38
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]hexadecanamide
CID 101090548
7-methyl-2-(methylamino)-N-[(2R,4S,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]octanamide
CID 158896539
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
(3R,4R,5S,6R)-3-(hexylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 140974837
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 122492503
N-[(3S,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 11845328
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

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]nonanamide?
The IUPAC name of 2-hydroxy-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]nonanamide (CID 101452624) is 2-hydroxy-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]nonanamide.
What is the SMILES notation for 2-hydroxy-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]nonanamide?
The canonical SMILES for 2-hydroxy-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]nonanamide is CCCCCCCC(O)C(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of 2-hydroxy-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]nonanamide?
The InChIKey is UTDGBVIIHTVEHN-FQWOBMNVSA-N. The full InChI is InChI=1S/C15H29NO7/c1-2-3-4-5-6-7-9(18)14(21)16-11-13(20)12(19)10(8-17)23-15(11)22/h9-13,15,17-20,22H,2-8H2,1H3,(H,16,21)/t9?,10-,11-,12-,13-,15?/m1/s1.
What are the key properties of 2-hydroxy-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]nonanamide?
2-hydroxy-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]nonanamide has a molecular weight of 335.40 g/mol, XLogP of -1.38, 9 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]nonanamide is sourced from PubChem (CID 101452624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).