1-Laurin-2-stearin

CAT: 0926-ZHA27481-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-ZHA27481-01Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

199274-81-2

MDL Number

MFCD02259086

Smiles

CCCCCCCCCCCCCCCCCC (=O) OC (CO) COC (=O) CCCCCCCCCCC

Molecular Formula

C33H64O5

Molecular Weight

540.9 g/mol

Controlled

Chemical Information

Octadecanoic acid, 1-(hydroxymethyl)-2-[(1-oxododecyl)oxy]ethyl ester

CAS Number	199274-81-2
PubChem CID	76463870
IUPAC Name	(1-dodecanoyloxy-3-hydroxypropan-2-yl) octadecanoate
Molecular Formula	C33H64O5
Molecular Weight	540.9
XLogP	13
Topological Polar Surface Area	72.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	32
Heavy Atom Count	38
Formal Charge	0
Complexity	508

SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCC

InChI

InChI=1S/C33H64O5/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-33(36)38-31(29-34)30-37-32(35)27-25-23-21-19-12-10-8-6-4-2/h31,34H,3-30H2,1-2H3

InChIKey

OKDHBEDQKMJTGE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 199274-81-2

CID: 76463870

Formula: C33H64O5

MW: 540.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	540.9
XLogP3	13
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	32
Exact Mass	540.47537514
Monoisotopic Mass	540.47537514
Topological Polar Surface Area	72.8 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	508
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes