16-Phosphonohexadecanoic acid

CAT: 0926-TSA36118-02Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-TSA36118-02Size:5 g

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CAS Number

443361-18-0

MDL Number

MFCD09836229

Smiles

C (CCCCCCCC (=O) O) CCCCCCCP (=O) (O) O

Molecular Formula

C16H33O5P

Molecular Weight

336.4 g/mol

Controlled

Chemical Information

16-Phosphonohexadecanoic acid

CAS Number	443361-18-0
PubChem CID	53422654
IUPAC Name	16-phosphonohexadecanoic acid
Molecular Formula	C16H33O5P
Molecular Weight	336.40
XLogP	4.4
Topological Polar Surface Area	94.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	16
Heavy Atom Count	22
Formal Charge	0
Complexity	314

SMILES

C(CCCCCCCC(=O)O)CCCCCCCP(=O)(O)O

InChI

InChI=1S/C16H33O5P/c17-16(18)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-22(19,20)21/h1-15H2,(H,17,18)(H2,19,20,21)

InChIKey

JVXYHUCXFLBBGA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 443361-18-0

CID: 53422654

Formula: C16H33O5P

MW: 336.40

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	336.40
XLogP3	4.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	16
Exact Mass	336.20656115
Monoisotopic Mass	336.20656115
Topological Polar Surface Area	94.8 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	314
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
FH73274-01	16-Hydroxyhexadecanoic acid
FM31475	16-Mercaptohexadecanoic acid
BHA39068-01	16±-Hydroxytrametenolic acid
BHA39066-01	16α-Hydroxydehydrotrametenolic acid
FAA95183	16-Epi-deacetyl-fusidic acid
AIA81331-01	16-Nor-15-oxodehydroabietic acid
SAA73598	13 (Z),16 (Z) -Docosadienoic acid
FD20825-01	16-Deacetyl fusidic acid sodium salt
TGA29313-01	3-O-Acetyl-16±-hydroxytrametenolic acid
TGA29314-01	3-o-Acetyl-16 alpha-hydroxydehydrotrametenolic acid

Catalog	Name
OR1060260-01	16-Phosphonohexadecanoic acid
sc-301520	Palmitic acid-16,16,16-d3
MBS393784-01	Hexadecanoic-16,16,16-D3 Acid
HY-W046056	16- (Benzyloxy) -16-oxohexadecanoic acid
GTR19276145-01	16-Methoxy-16-oxohexadecanoic acid
TWK01905	16α-Hydroxydehydrotrametenolic acid
TRC-H281295-100MG	16-Heptadecynoic Acid
HY-W036513	16-Bromohexadecanoic acid
HY-23629-01	16-Aminohexadecanoic acid
HY-165871-01	16-Methyloctadecanoic acid