(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-(5-pentyl-1,2-oxazol-3-yl)hexanoic acid

C14H23NO8 — CID 20662073

IUPAC(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-(5-pentyl-1,2-oxazol-3-yl)hexanoic acid
SMILESCCCCCc1cc([C@](O)(C(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO)no1
InChIInChI=1S/C14H23NO8/c1-2-3-4-5-8-6-10(15-23-8)14(22,13(20)21)12(19)11(18)9(17)7-16/h6,9,11-12,16-19,22H,2-5,7H2,1H3,(H,20,21)/t9-,11-,12+,14-/m1/s1
InChIKeyLGTQWHHFUFREMG-SGESHTKJSA-N
MW333.34 g/mol
LogP-1.25
Rot. Bonds10

About (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-(5-pentyl-1,2-oxazol-3-yl)hexanoic acid

(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-(5-pentyl-1,2-oxazol-3-yl)hexanoic acid (PubChem CID 20662073) has the molecular formula C14H23NO8 and a molecular weight of 333.34 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-(5-pentyl-1,2-oxazol-3-yl)hexanoic acid.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-(5-pentyl-1,2-oxazol-3-yl)hexanoic acid
PubChem CID20662073
Molecular FormulaC14H23NO8
Molecular Weight333.34 g/mol
Exact Mass333.14
IUPAC Name(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-(5-pentyl-1,2-oxazol-3-yl)hexanoic acid
SMILESCCCCCc1cc([C@](O)(C(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO)no1
InChIInChI=1S/C14H23NO8/c1-2-3-4-5-8-6-10(15-23-8)14(22,13(20)21)12(19)11(18)9(17)7-16/h6,9,11-12,16-19,22H,2-5,7H2,1H3,(H,20,21)/t9-,11-,12+,14-/m1/s1
InChIKeyLGTQWHHFUFREMG-SGESHTKJSA-N
XLogP-1.25
TPSA164.48 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.34
LogP ≤ 5-1.25
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-(5-pentyl-1,2-oxazol-3-yl)hexanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-(5-pentyl-1,2-oxazol-3-yl)hexanoic acid?
The IUPAC name of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-(5-pentyl-1,2-oxazol-3-yl)hexanoic acid (CID 20662073) is (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-(5-pentyl-1,2-oxazol-3-yl)hexanoic acid.
What is the SMILES notation for (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-(5-pentyl-1,2-oxazol-3-yl)hexanoic acid?
The canonical SMILES for (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-(5-pentyl-1,2-oxazol-3-yl)hexanoic acid is CCCCCc1cc([C@](O)(C(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO)no1.
What is the InChIKey of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-(5-pentyl-1,2-oxazol-3-yl)hexanoic acid?
The InChIKey is LGTQWHHFUFREMG-SGESHTKJSA-N. The full InChI is InChI=1S/C14H23NO8/c1-2-3-4-5-8-6-10(15-23-8)14(22,13(20)21)12(19)11(18)9(17)7-16/h6,9,11-12,16-19,22H,2-5,7H2,1H3,(H,20,21)/t9-,11-,12+,14-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-(5-pentyl-1,2-oxazol-3-yl)hexanoic acid?
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-(5-pentyl-1,2-oxazol-3-yl)hexanoic acid has a molecular weight of 333.34 g/mol, XLogP of -1.25, 10 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-(5-pentyl-1,2-oxazol-3-yl)hexanoic acid is sourced from PubChem (CID 20662073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).