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Phytantriol

CAT: 1596-AR-P31531-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P31531-06Size:250 Units
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CAS Number
74563-64-7
Molecular Formula
C20H42O3
Molecular Weight
330.55
API Name
Phytantriol

Chemical Information

Phytantriol

Phytantriol is a triol that consists of 3,7,11,15-tetramethylhexadecane bearing three hydroxy substituents at positions 1, 2 and 3.

CAS Number74563-64-7
PubChem CID3018525
IUPAC Name3,7,11,15-tetramethylhexadecane-1,2,3-triol
Molecular FormulaC20H42O3
Molecular Weight330.5
XLogP5.9
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Heavy Atom Count23
Formal Charge0
Complexity280
SMILES
CC(C)CCCC(C)CCCC(C)CCCC(C)(C(CO)O)O
InChI
InChI=1S/C20H42O3/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-20(5,23)19(22)15-21/h16-19,21-23H,6-15H2,1-5H3
InChIKey
CGIHFIDULQUVJG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phytantriol
CAS: 74563-64-7
CID: 3018525
Formula: C20H42O3
MW: 330.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.5
XLogP35.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Exact Mass330.31339520
Monoisotopic Mass330.31339520
Topological Polar Surface Area60.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity280
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-P399008-500MGPhytantriol
CS-P-09155Phytantriol-d36
TRC-P120011-10MGR,R-Phytantriol-d6 (Major)

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