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(±) -alpha-Tocopherol phosphate disodium salt

CAT: 1266-JH368822Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
60934-46-5
HS Code
2932999099
Stability
Store in 2~8°C
Molecular Formula
C29H52NaO5P
Molecular Weight
534.69
Product Name Synonym
4 (R) -Tetrahydropyranyloxy-2- (6-carbomethoxyhexyl) -cyclopent-2-en-1-one
Physical Properties
Off-white solid
Safety Statements
S26; S27; S36/37/39; S45
Density
1.218 g/cm3
Flash Point
325.9oC
Melting Point
129-132oC

Chemical Information

2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, dihydrogen phosphate, disodium salt, (2R*(4R*,8R*))-(+-)-
CAS Number60934-46-5
PubChem CID18391755
IUPAC Namedisodium;[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] phosphate
Molecular FormulaC29H49Na2O5P
Molecular Weight554.6
Topological Polar Surface Area81.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Heavy Atom Count37
Formal Charge0
Complexity652
SMILES
CC1=C(C(=C(C2=C1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)OP(=O)([O-])[O-])C.[Na+].[Na+]
InChI
InChI=1S/C29H51O5P.2Na/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(34-35(30,31)32)23(5)24(6)28(26)33-29;;/h20-22H,9-19H2,1-8H3,(H2,30,31,32);;/q;2*+1/p-2/t21-,22-,29-;;/m1../s1
InChIKey
LPWACMVJQSCQOF-RQGAJXLPSA-L
Chemical Structure
2D Structure
2D structure of 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, dihydrogen phosphate, disodium salt, (2R*(4R*,8R*))-(+-)-
CAS: 60934-46-5
CID: 18391755
Formula: C29H49Na2O5P
MW: 554.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight554.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Exact Mass554.31130022
Monoisotopic Mass554.31130022
Topological Polar Surface Area81.7 Ų
Heavy Atom Count37
Formal Charge0
Complexity652
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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