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82052-67-3 | Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, bis(1-methyloctyl) ester
CAS No: 82052-67-3 Catalog No: AG0052QQ MDL No:
Product Description
Catalog Number:
AG0052QQ
Chemical Name:
Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, bis(1-methyloctyl) ester
CAS Number:
82052-67-3
Molecular Formula:
C22H42O6
Molecular Weight:
402.5653
IUPAC Name:
dinonan-2-yl (2R,3R)-2,3-dihydroxybutanedioate
InChI:
InChI=1S/C22H42O6/c1-5-7-9-11-13-15-17(3)27-21(25)19(23)20(24)22(26)28-18(4)16-14-12-10-8-6-2/h17-20,23-24H,5-16H2,1-4H3/t17?,18?,19-,20-/m1/s1
InChI Key:
UDJCYIGJOXUJCX-NTFDOXNWSA-N
SMILES:
CCCCCCCC(OC(=O)[C@@H]([C@H](C(=O)OC(CCCCCCC)C)O)O)C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
402.298g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
402.572g/mol
Monoisotopic Mass:
402.298g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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