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1-Stearin-2-palmitin

CAT: 0926-PAA01555-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-PAA01555-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14015-55-5
MDL Number
MFCD02259094
Smiles
CCCCCCCCCCCCCCCCCC (=O) OCC (CO) OC (=O) CCCCCCCCCCCCCCC
Molecular Formula
C37H72O5
Molecular Weight
597 g/mol
Controlled
No

Chemical Information

Palmitostearin
CAS Number14015-55-5
PubChem CID122421
IUPAC Name(2-hexadecanoyloxy-3-hydroxypropyl) octadecanoate
Molecular FormulaC37H72O5
Molecular Weight597.0
XLogP15.1
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count36
Heavy Atom Count42
Formal Charge0
Complexity564
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C37H72O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3
InChIKey
VYQDALBEQRZDPL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Palmitostearin
CAS: 14015-55-5
CID: 122421
Formula: C37H72O5
MW: 597.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight597.0
XLogP315.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count36
Exact Mass596.53797539
Monoisotopic Mass596.53797539
Topological Polar Surface Area72.8 Ų
Heavy Atom Count42
Formal Charge0
Complexity564
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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