(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxy-N-(2-phenylethyl)hexanamide

C14H21NO6 — CID 92529727

IUPAC(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxy-N-(2-phenylethyl)hexanamide
SMILESO=C(NCCc1ccccc1)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO
InChIInChI=1S/C14H21NO6/c16-8-10(17)11(18)12(19)13(20)14(21)15-7-6-9-4-2-1-3-5-9/h1-5,10-13,16-20H,6-8H2,(H,15,21)/t10-,11+,12+,13+/m0/s1
InChIKeyXVYXITQHMRDBBG-UMSGYPCISA-N
MW299.32 g/mol
LogP-2.22
Rot. Bonds8

About (2R,3R,4R,5S)-2,3,4,5,6-pentahydroxy-N-(2-phenylethyl)hexanamide

(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxy-N-(2-phenylethyl)hexanamide (PubChem CID 92529727) has the molecular formula C14H21NO6 and a molecular weight of 299.32 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2,3,4,5,6-pentahydroxy-N-(2-phenylethyl)hexanamide.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxy-N-(2-phenylethyl)hexanamide
PubChem CID92529727
Molecular FormulaC14H21NO6
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC Name(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxy-N-(2-phenylethyl)hexanamide
SMILESO=C(NCCc1ccccc1)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO
InChIInChI=1S/C14H21NO6/c16-8-10(17)11(18)12(19)13(20)14(21)15-7-6-9-4-2-1-3-5-9/h1-5,10-13,16-20H,6-8H2,(H,15,21)/t10-,11+,12+,13+/m0/s1
InChIKeyXVYXITQHMRDBBG-UMSGYPCISA-N
XLogP-2.22
TPSA130.25 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.32
LogP ≤ 5-2.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2,3,4,5,6-pentahydroxy-N-(2-phenylethyl)hexanamide?
The IUPAC name of (2R,3R,4R,5S)-2,3,4,5,6-pentahydroxy-N-(2-phenylethyl)hexanamide (CID 92529727) is (2R,3R,4R,5S)-2,3,4,5,6-pentahydroxy-N-(2-phenylethyl)hexanamide.
What is the SMILES notation for (2R,3R,4R,5S)-2,3,4,5,6-pentahydroxy-N-(2-phenylethyl)hexanamide?
The canonical SMILES for (2R,3R,4R,5S)-2,3,4,5,6-pentahydroxy-N-(2-phenylethyl)hexanamide is O=C(NCCc1ccccc1)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO.
What is the InChIKey of (2R,3R,4R,5S)-2,3,4,5,6-pentahydroxy-N-(2-phenylethyl)hexanamide?
The InChIKey is XVYXITQHMRDBBG-UMSGYPCISA-N. The full InChI is InChI=1S/C14H21NO6/c16-8-10(17)11(18)12(19)13(20)14(21)15-7-6-9-4-2-1-3-5-9/h1-5,10-13,16-20H,6-8H2,(H,15,21)/t10-,11+,12+,13+/m0/s1.
What are the key properties of (2R,3R,4R,5S)-2,3,4,5,6-pentahydroxy-N-(2-phenylethyl)hexanamide?
(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxy-N-(2-phenylethyl)hexanamide has a molecular weight of 299.32 g/mol, XLogP of -2.22, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2,3,4,5,6-pentahydroxy-N-(2-phenylethyl)hexanamide is sourced from PubChem (CID 92529727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).