Phytanoic Acid (3-Methyl-d3)

CAT: 1596-AR-P29551-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P29551-01Size:10 Units

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CAS Number

1383920-40-8

Molecular Formula

C20H37D3O2

API Name

Phytanoic Acid

Chemical Information

Phytanic acid-d3

CAS Number	1383920-40-8
PubChem CID	13392621
IUPAC Name	7,11,15-trimethyl-3-(trideuteriomethyl)hexadecanoic acid
Molecular Formula	C20H40O2
Molecular Weight	315.5
XLogP	8.3
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	14
Heavy Atom Count	22
Formal Charge	0
Complexity	273

SMILES

[2H]C([2H])([2H])C(CCCC(C)CCCC(C)CCCC(C)C)CC(=O)O

InChI

InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)/i5D3

InChIKey

RLCKHJSFHOZMDR-VPYROQPTSA-N

Chemical Structure

2D Structure

CAS: 1383920-40-8

CID: 13392621

Formula: C20H40O2

MW: 315.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	315.5
XLogP3	8.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	14
Exact Mass	315.321660752
Monoisotopic Mass	315.321660752
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	273
Isotope Atom Count	3
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-P29548-01	Phytanoic Acid
AR-C09047-01	Clavulanic Acid Methyl-d3 Ester
AR-P29550-01	Pristanic Acid (2-Methyl-d3)
AR-S01093-01	5-Methyl Salicylic Acid-d3
AR-M04490-01	Methyl 3,4-dihydroxybenzoate-d3 (benzene-d3)
AR-P32966-01	3-Methylphosphinicopropionic Acid-d3
AR-Z01023-01	Zaltoprofen-d3 (methyl-d3)
AR-Z01267-01	Zaltoprofen-d3 (methyl-d3)
AR-F09711-01	Docosanoic Acid-d3 (Behenic Acid-d3)
AR-P03268-01	Pyrazinoic Acid-d3 (Pyrazinecarboxylic Acid-d3)

Catalog	Name
TRC-P147200-500MG	Phytanoic Acid
IFC92040-01	Phytanic acid (3-methyl-d3)
TRC-M193446-250MG	3-(Methyl-d3)hexanedioic acid
sc-210640	7-Methyl-3- (methyl-d3) uric Acid
TRC-M329046-10MG	(±)-2-Methyl-d3-succinic-2,3,3-d3 Acid
426697-01	3-Tridecylhexadecanoic Acid Methyl-d3 Ester
160707	3-Oxobutyric Acid Methyl-d3 Ester
TRC-M330900-2.5MG	7-Methyl-3-methyluric Acid-d3
JH919080	(3- (methyl-d3) phenyl) boronic acid
TRC-P284862-25MG	3-Pentynoic Acid Methyl-d3 Ester