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102616-25-1 | Pentadecanoic acid, 6-hydroxy-2-methoxy-3,7-dimethyl-, methyl ester, (2R,3S,6S,7S)-rel-
CAS No: 102616-25-1 Catalog No: AG0007XR MDL No:
Product Description
Catalog Number:
AG0007XR
Chemical Name:
Pentadecanoic acid, 6-hydroxy-2-methoxy-3,7-dimethyl-, methyl ester, (2R,3S,6S,7S)-rel-
CAS Number:
102616-25-1
Molecular Formula:
C19H38O4
Molecular Weight:
330.5026
IUPAC Name:
methyl (2R,3S,6S,7S)-6-hydroxy-2-methoxy-3,7-dimethylpentadecanoate
InChI:
InChI=1S/C19H38O4/c1-6-7-8-9-10-11-12-15(2)17(20)14-13-16(3)18(22-4)19(21)23-5/h15-18,20H,6-14H2,1-5H3/t15-,16-,17-,18+/m0/s1
InChI Key:
YVKCBZZHPCUOMW-XLAORIBOSA-N
SMILES:
CCCCCCCC[C@@H]([C@H](CC[C@@H]([C@H](C(=O)OC)OC)C)O)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
330.277g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.509g/mol
Monoisotopic Mass:
330.277g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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