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836678-25-2 | Octadecanoic acid, 9,10-diiodo-, (9R,10S)-
CAS No: 836678-25-2 Catalog No: AG0056GS MDL No:
Product Description
Catalog Number:
AG0056GS
Chemical Name:
Octadecanoic acid, 9,10-diiodo-, (9R,10S)-
CAS Number:
836678-25-2
Molecular Formula:
C18H34I2O2
Molecular Weight:
536.2703
IUPAC Name:
(9R,10S)-9,10-diiodooctadecanoic acid
InChI:
InChI=1S/C18H34I2O2/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17H,2-15H2,1H3,(H,21,22)/t16-,17+/m0/s1
InChI Key:
JMVNKBVIVLPCGR-DLBZAZTESA-N
SMILES:
CCCCCCCC[C@@H]([C@@H](CCCCCCCC(=O)O)I)I
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
536.065g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
536.277g/mol
Monoisotopic Mass:
536.065g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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