Dihexadecyl Hydrogen Phosphate

CAT: 0127-OR1012898-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1012898-01Size:100 mg

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CAS Number

2197-63-9

MDL Number

MFCD00008999

Purity

95%

Smiles

O=P(OCCCCCCCCCCCCCCCC)(OCCCCCCCCCCCCCCCC)O

Chemical Information

Dicetyl Phosphate

Dicetyl hydrogen phosphate is the dihexadecyl ester of phosphoric acid.

CAS Number	2197-63-9
PubChem CID	75143
IUPAC Name	dihexadecyl hydrogen phosphate
Molecular Formula	C32H67O4P
Molecular Weight	546.8
XLogP	14.5
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	32
Heavy Atom Count	37
Formal Charge	0
Complexity	434

SMILES

CCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCC

InChI

InChI=1S/C32H67O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-37(33,34)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3,(H,33,34)

InChIKey

RNPXCFINMKSQPQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2197-63-9

CID: 75143

Formula: C32H67O4P

MW: 546.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	546.8
XLogP3	14.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	32
Exact Mass	546.47769761
Monoisotopic Mass	546.47769761
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	434
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1071701-01	Diisopropyl hydrogen phosphate
OR1012831-01	Dibutyl hydrogen phosphate
OR1034975-01	Didodecyl hydrogen phosphate
OR97926-01	Diethyl hydrogen phosphate
IN2915	Potassium Hydrogen Phosphate
OR1036726	Diisobutyl hydrogen phosphate
OR10807-01	Dimethyl hydrogen phosphate
OR16436-01	Diphenyl hydrogen phosphate
IN10518-01	Magnesium Hydrogen Phosphate Trihydrate
OR1006444	Dipotassium hydrogen phosphate (trihydrate)

Catalog	Name
MBS5807737	Dihexadecyl hydrogen phosphate
TRC-D447600-5G	Dihexadecyl Phosphate
HY-W585884-01	Diisobutyl hydrogen phosphate
HY-W019883-01	Dipotassium hydrogen phosphate
271909-01	Dibenzyl hydrogen phosphate
40300151-2	Calcium Hydrogen Phosphate
TRC-D263380-250MG	Dioctadecyl Hydrogen Phosphate
D7292-01	Disodium Hydrogen Phosphate