vitamin E-tpgs amine

vitamin E-tpgs amine

CAS: 9002-96-4

Formula: C35H61NO6

SMILES: N.CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(C)C(OC(=O)CCC(=O)OCCO)=C(C)C(C)=C2O1

IUPAC: 1-(2-hydroxyethyl) 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl butanedioate amine

InChI: InChI=1/C35H58O6.H3N/c1-24(2)12-9-13-25(3)14-10-15-26(4)16-11-20-35(8)21-19-30-29(7)33(27(5)28(6)34(30)41-35)40-32(38)18-17-31(37)39-23-22-36;/h24-26,36H,9-23H2,1-8H3;1H3

Composition: C (71.03%), H (10.39%), N (2.37%), O (16.22%)

Molar Mass: 591.874

Atom Count: 103

Heavy Atom Count: 42

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	3
Exact Mass	591.449888688
Formal Charge	0
FSP3	0.77
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	SVCWHOATEWZKOV-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	166.48
Topological Polar Surface Area	82.06
Polarizability	65.5
Ring Count	2
Rotatable Bond Count	20

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