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143537-62-6 molecular structure
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3-oxo-N-[(3S)-2-oxooxolan-3-yl]hexanamide

ChemBase ID: 130598
Molecular Formular: C10H15NO4
Molecular Mass: 213.2304
Monoisotopic Mass: 213.10010797
SMILES and InChIs

SMILES:
CCCC(=O)CC(=O)N[C@H]1CCOC1=O
Canonical SMILES:
CCCC(=O)CC(=O)N[C@H]1CCOC1=O
InChI:
InChI=1S/C10H15NO4/c1-2-3-7(12)6-9(13)11-8-4-5-15-10(8)14/h8H,2-6H2,1H3,(H,11,13)/t8-/m0/s1
InChIKey:
YRYOXRMDHALAFL-QMMMGPOBSA-N

Cite this record

CBID:130598 http://www.chembase.cn/molecule-130598.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-oxo-N-[(3S)-2-oxooxolan-3-yl]hexanamide
IUPAC Traditional name
3-oxo-N-[(3S)-2-oxooxolan-3-yl]hexanamide
Synonyms
N-(β-Ketocaproyl)-L-homoserine lactone
N-(3-Oxohexanoyl)-homoserine Lactone
(S)-3-Oxo-N-(tetrahydro-2-oxo-3-furanyl)hexanamide
N-(Ketocaproyl)-L-homoserine Lactone
N-(3-氧代己酰)-L-高丝氨酸内酯
N-(β-酮己酰)-L-高丝氨酸内酯
CAS Number
143537-62-6
MDL Number
MFCD00171363
PubChem SID
24896225
162224876
PubChem CID
688505

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 688505 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.309674  H Acceptors
H Donor LogD (pH = 5.5) 0.28460795 
LogD (pH = 7.4) 0.28408146  Log P 0.28461465 
Molar Refractivity 51.9811 cm3 Polarizability 20.565758 Å3
Polar Surface Area 72.47 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Methanol expand Show data source
Apperance
White Solid expand Show data source
Melting Point
72-74°C expand Show data source
Storage Condition
Hygroscopic, -20°C Freezer, Under Inert Atmosphere expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
≥98% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - K3007 external link
包装
10, 50 mg in poly bottle
Toronto Research Chemicals - K180750 external link
An autoinducer of P. fischeri luciferase. A specfic genetic regulator that is unrelated to at least one of the enzyme systems that it induces, and it acts after excretion and accumulation in the extracellular medium.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Eberhard, A., et al.: Biochemistry, 20, 2444 (1981)
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PATENTS

PATENTS

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INTERNET

INTERNET

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