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27214-38-6 molecular structure
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1,3-dihydroxypropan-2-yl tetradecanoate

ChemBase ID: 109150
Molecular Formular: C17H34O4
Molecular Mass: 302.44946
Monoisotopic Mass: 302.24570957
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCC(=O)OC(CO)CO
Canonical SMILES:
CCCCCCCCCCCCCC(=O)OC(CO)CO
InChI:
InChI=1S/C17H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-16(14-18)15-19/h16,18-19H,2-15H2,1H3
InChIKey:
TVIMZSOUQXNWHO-UHFFFAOYSA-N

Cite this record

CBID:109150 http://www.chembase.cn/molecule-109150.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-dihydroxypropan-2-yl tetradecanoate
IUPAC Traditional name
1,3-dihydroxypropan-2-yl tetradecanoate
Synonyms
GLYCERYL MONOMYRISTATE
CAS Number
27214-38-6
EC Number
248-329-0
PubChem SID
162096089
PubChem CID
137938

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05210027 external link Add to cart Please log in.
Data Source Data ID
PubChem 137938 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.278373  H Acceptors
H Donor LogD (pH = 5.5) 4.1929026 
LogD (pH = 7.4) 4.1929026  Log P 4.1929026 
Molar Refractivity 84.9055 cm3 Polarizability 34.045204 Å3
Polar Surface Area 66.76 Å2 Rotatable Bonds 16 
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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