(3R,4S,5S,6R)-N-acetyl-3,4,5-trihydroxy-6-(hydroxymethyl)-N-tetradecyloxane-2-carboxamide

C23H43NO7 — CID 21307593

IUPAC(3R,4S,5S,6R)-N-acetyl-3,4,5-trihydroxy-6-(hydroxymethyl)-N-tetradecyloxane-2-carboxamide
SMILESCCCCCCCCCCCCCCN(C(C)=O)C(=O)C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C23H43NO7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-24(17(2)26)23(30)22-21(29)20(28)19(27)18(16-25)31-22/h18-22,25,27-29H,3-16H2,1-2H3/t18-,19-,20+,21-,22?/m1/s1
InChIKeyLZOYKKLDZFDQNQ-VEIQOZLZSA-N
MW445.60 g/mol
LogP1.90
Rot. Bonds15

About (3R,4S,5S,6R)-N-acetyl-3,4,5-trihydroxy-6-(hydroxymethyl)-N-tetradecyloxane-2-carboxamide

(3R,4S,5S,6R)-N-acetyl-3,4,5-trihydroxy-6-(hydroxymethyl)-N-tetradecyloxane-2-carboxamide (PubChem CID 21307593) has the molecular formula C23H43NO7 and a molecular weight of 445.60 g/mol. Its IUPAC name is (3R,4S,5S,6R)-N-acetyl-3,4,5-trihydroxy-6-(hydroxymethyl)-N-tetradecyloxane-2-carboxamide.

Molecular Properties

Compound Name(3R,4S,5S,6R)-N-acetyl-3,4,5-trihydroxy-6-(hydroxymethyl)-N-tetradecyloxane-2-carboxamide
PubChem CID21307593
Molecular FormulaC23H43NO7
Molecular Weight445.60 g/mol
Exact Mass445.30
IUPAC Name(3R,4S,5S,6R)-N-acetyl-3,4,5-trihydroxy-6-(hydroxymethyl)-N-tetradecyloxane-2-carboxamide
SMILESCCCCCCCCCCCCCCN(C(C)=O)C(=O)C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C23H43NO7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-24(17(2)26)23(30)22-21(29)20(28)19(27)18(16-25)31-22/h18-22,25,27-29H,3-16H2,1-2H3/t18-,19-,20+,21-,22?/m1/s1
InChIKeyLZOYKKLDZFDQNQ-VEIQOZLZSA-N
XLogP1.90
TPSA127.53 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.60
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (3R,4S,5S,6R)-N-acetyl-3,4,5-trihydroxy-6-(hydroxymethyl)-N-tetradecyloxane-2-carboxamide with MolForge

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Related Compounds

N,N-diethyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
CID 44269525
(2S)-3,4,5-trihydroxy-N-(2-hydroxyethyl)-6-(hydroxymethyl)oxane-2-carboxamide
CID 44335204
(2R)-3,4,5-trihydroxy-N-(2-hydroxyethyl)-6-(hydroxymethyl)oxane-2-carboxamide
CID 44335507
(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-N-(2-hydroxyethyl)-6-(hydroxymethyl)oxane-2-carboxamide
CID 44354543
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-N-(2-hydroxyethyl)-6-(hydroxymethyl)oxane-2-carboxamide
CID 44354845
(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-N-(2-hydroxyethyl)-6-(hydroxymethyl)oxane-2-carboxamide
CID 118719328
N-Dodecyl-N-methyl-D-gluconamide
CID 15143244
1,2-Distearylglycerate-3-N-methylglucamine
CID 131926
1-Stearyl-2-myristylglycerate-3-N-methylglucamine
CID 164389
1-stearyl-2-behenylglycerate-3-N-methylglucamine
CID 3081824
6-(Dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid
CID 72756610
(2S,3R,4S,5S,6R)-N-butyl-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxamide
CID 91323839

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6R)-N-acetyl-3,4,5-trihydroxy-6-(hydroxymethyl)-N-tetradecyloxane-2-carboxamide?
The IUPAC name of (3R,4S,5S,6R)-N-acetyl-3,4,5-trihydroxy-6-(hydroxymethyl)-N-tetradecyloxane-2-carboxamide (CID 21307593) is (3R,4S,5S,6R)-N-acetyl-3,4,5-trihydroxy-6-(hydroxymethyl)-N-tetradecyloxane-2-carboxamide.
What is the SMILES notation for (3R,4S,5S,6R)-N-acetyl-3,4,5-trihydroxy-6-(hydroxymethyl)-N-tetradecyloxane-2-carboxamide?
The canonical SMILES for (3R,4S,5S,6R)-N-acetyl-3,4,5-trihydroxy-6-(hydroxymethyl)-N-tetradecyloxane-2-carboxamide is CCCCCCCCCCCCCCN(C(C)=O)C(=O)C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (3R,4S,5S,6R)-N-acetyl-3,4,5-trihydroxy-6-(hydroxymethyl)-N-tetradecyloxane-2-carboxamide?
The InChIKey is LZOYKKLDZFDQNQ-VEIQOZLZSA-N. The full InChI is InChI=1S/C23H43NO7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-24(17(2)26)23(30)22-21(29)20(28)19(27)18(16-25)31-22/h18-22,25,27-29H,3-16H2,1-2H3/t18-,19-,20+,21-,22?/m1/s1.
What are the key properties of (3R,4S,5S,6R)-N-acetyl-3,4,5-trihydroxy-6-(hydroxymethyl)-N-tetradecyloxane-2-carboxamide?
(3R,4S,5S,6R)-N-acetyl-3,4,5-trihydroxy-6-(hydroxymethyl)-N-tetradecyloxane-2-carboxamide has a molecular weight of 445.60 g/mol, XLogP of 1.90, 15 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,6R)-N-acetyl-3,4,5-trihydroxy-6-(hydroxymethyl)-N-tetradecyloxane-2-carboxamide is sourced from PubChem (CID 21307593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).