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17977-66-1 | Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, 1,4-dioctadecyl ester
CAS No: 17977-66-1 Catalog No: AG002797 MDL No:
Product Description
Catalog Number:
AG002797
Chemical Name:
Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, 1,4-dioctadecyl ester
CAS Number:
17977-66-1
Molecular Formula:
C40H78O6
Molecular Weight:
655.0437
IUPAC Name:
dioctadecyl (2R,3R)-2,3-dihydroxybutanedioate
InChI:
InChI=1S/C40H78O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-45-39(43)37(41)38(42)40(44)46-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38,41-42H,3-36H2,1-2H3/t37-,38-/m1/s1
InChI Key:
RYGCHSSZXHQCEJ-XPSQVAKYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOC(=O)[C@@H]([C@H](C(=O)OCCCCCCCCCCCCCCCCCC)O)O
EC Number:
241-900-5
Properties
Complexity:
585
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
654.58g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
655.058g/mol
Monoisotopic Mass:
654.58g/mol
Rotatable Bond Count:
39
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
16.6
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