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16869-68-4 | 1,4-Naphthalenediol, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecen-1-yl)-
CAS No: 16869-68-4 Catalog No: AG001Y85 MDL No:
Product Description
Catalog Number:
AG001Y85
Chemical Name:
1,4-Naphthalenediol, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecen-1-yl)-
CAS Number:
16869-68-4
Molecular Formula:
C31H48O2
Molecular Weight:
452.7116
IUPAC Name:
2-methyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)naphthalene-1,4-diol
InChI:
InChI=1S/C31H48O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24,32-33H,9-17,21H2,1-6H3
InChI Key:
BUFJIHPUGZHTHL-UHFFFAOYSA-N
SMILES:
CC(CCCC(CCCC(C)C)C)CCCC(=CCc1c(C)c(O)c2c(c1O)cccc2)C
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.365g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
452.723g/mol
Monoisotopic Mass:
452.365g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
11.9
Literature
| Title | Journal |
|---|---|
| The conversion of vitamin K epoxide to vitamin K quinone and vitamin K quinone to vitamin K hydroquinone uses the same active site cysteines. | Biochemistry 20070619 |
| The biological activity and tissue distribution of 2',3'-dihydrophylloquinone in rats. | Biochimica et biophysica acta 20030822 |
| Mutagenesis of vitamin K-dependent carboxylase demonstrates a carboxyl terminus-mediated interaction with vitamin K hydroquinone. | The Journal of biological chemistry 19950310 |
| Vitamin K-dependent carboxylase: evidence for a semiquinone radical intermediate. | Archives of biochemistry and biophysics 19840501 |
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