(3R,4S,5R)-3,4,5,6-tetrahydroxy-N-(2-phenylacetyl)hexanamide

C14H19NO6 — CID 91275986

IUPAC(3R,4S,5R)-3,4,5,6-tetrahydroxy-N-(2-phenylacetyl)hexanamide
SMILESO=C(Cc1ccccc1)NC(=O)C[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C14H19NO6/c16-8-11(18)14(21)10(17)7-13(20)15-12(19)6-9-4-2-1-3-5-9/h1-5,10-11,14,16-18,21H,6-8H2,(H,15,19,20)/t10-,11-,14+/m1/s1
InChIKeyWZYCGQJUAZNZPW-GYSYKLTISA-N
MW297.31 g/mol
LogP-1.66
Rot. Bonds7

About (3R,4S,5R)-3,4,5,6-tetrahydroxy-N-(2-phenylacetyl)hexanamide

(3R,4S,5R)-3,4,5,6-tetrahydroxy-N-(2-phenylacetyl)hexanamide (PubChem CID 91275986) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is (3R,4S,5R)-3,4,5,6-tetrahydroxy-N-(2-phenylacetyl)hexanamide.

Molecular Properties

Compound Name(3R,4S,5R)-3,4,5,6-tetrahydroxy-N-(2-phenylacetyl)hexanamide
PubChem CID91275986
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Name(3R,4S,5R)-3,4,5,6-tetrahydroxy-N-(2-phenylacetyl)hexanamide
SMILESO=C(Cc1ccccc1)NC(=O)C[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C14H19NO6/c16-8-11(18)14(21)10(17)7-13(20)15-12(19)6-9-4-2-1-3-5-9/h1-5,10-11,14,16-18,21H,6-8H2,(H,15,19,20)/t10-,11-,14+/m1/s1
InChIKeyWZYCGQJUAZNZPW-GYSYKLTISA-N
XLogP-1.66
TPSA127.09 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-1.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (3R,4S,5R)-3,4,5,6-tetrahydroxy-N-(2-phenylacetyl)hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl] 2-phenylacetate
CID 67583386
(3R,4R,5R)-N-(2,2-difluoroacetyl)-3,4,5,6-tetrahydroxyhexanamide
CID 175737189
(2R,3R,4S,5R)-2-(benzylamino)-3,4,5,6-tetrahydroxyhexanoic acid
CID 144649374
(2S,3S,4S,5S)-7-phenylheptane-1,2,3,4,5,6-hexol
CID 159388961
hexane-1,2,3,4,5,6-hexol;phenylcarbamic acid
CID 54607151
N-(2-methylpropanethioyl)-2-phenylacetamide
CID 134493410
N-[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]-2-phenylacetamide
CID 103705558
N-[2-[bis(2-hydroxyethyl)amino]acetyl]-2-phenylacetamide
CID 60686355
(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxy-N-(2-phenylethyl)hexanamide
CID 92529727
(2S)-3-hydroxy-N-(2-phenylacetyl)-2-(phenylmethoxyamino)propanamide
CID 54447609
(2S,3R)-2-amino-3-hydroxy-N-(2-phenylacetyl)butanamide
CID 174682682
naphthalene;2-phenylacetic acid
CID 174965541

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-3,4,5,6-tetrahydroxy-N-(2-phenylacetyl)hexanamide?
The IUPAC name of (3R,4S,5R)-3,4,5,6-tetrahydroxy-N-(2-phenylacetyl)hexanamide (CID 91275986) is (3R,4S,5R)-3,4,5,6-tetrahydroxy-N-(2-phenylacetyl)hexanamide.
What is the SMILES notation for (3R,4S,5R)-3,4,5,6-tetrahydroxy-N-(2-phenylacetyl)hexanamide?
The canonical SMILES for (3R,4S,5R)-3,4,5,6-tetrahydroxy-N-(2-phenylacetyl)hexanamide is O=C(Cc1ccccc1)NC(=O)C[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (3R,4S,5R)-3,4,5,6-tetrahydroxy-N-(2-phenylacetyl)hexanamide?
The InChIKey is WZYCGQJUAZNZPW-GYSYKLTISA-N. The full InChI is InChI=1S/C14H19NO6/c16-8-11(18)14(21)10(17)7-13(20)15-12(19)6-9-4-2-1-3-5-9/h1-5,10-11,14,16-18,21H,6-8H2,(H,15,19,20)/t10-,11-,14+/m1/s1.
What are the key properties of (3R,4S,5R)-3,4,5,6-tetrahydroxy-N-(2-phenylacetyl)hexanamide?
(3R,4S,5R)-3,4,5,6-tetrahydroxy-N-(2-phenylacetyl)hexanamide has a molecular weight of 297.31 g/mol, XLogP of -1.66, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-3,4,5,6-tetrahydroxy-N-(2-phenylacetyl)hexanamide is sourced from PubChem (CID 91275986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).