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82052-73-1 | Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, bis(1-methyldecyl) ester
CAS No: 82052-73-1 Catalog No: AG005CM8 MDL No:
Product Description
Catalog Number:
AG005CM8
Chemical Name:
Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, bis(1-methyldecyl) ester
CAS Number:
82052-73-1
Molecular Formula:
C26H50O6
Molecular Weight:
458.6716
IUPAC Name:
diundecan-2-yl (2R,3R)-2,3-dihydroxybutanedioate
InChI:
InChI=1S/C26H50O6/c1-5-7-9-11-13-15-17-19-21(3)31-25(29)23(27)24(28)26(30)32-22(4)20-18-16-14-12-10-8-6-2/h21-24,27-28H,5-20H2,1-4H3/t21?,22?,23-,24-/m1/s1
InChI Key:
LQGOJDNOGONXHV-SNDHGLFQSA-N
SMILES:
CCCCCCCCCC(OC(=O)[C@@H]([C@H](C(=O)OC(CCCCCCCCC)C)O)O)C
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
458.361g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
458.68g/mol
Monoisotopic Mass:
458.361g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
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