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122703-32-6 | D-Glucopyranoside, methyl, di-(9Z)-9-octadecenoate
CAS No: 122703-32-6 Catalog No: AG000J11 MDL No:
Product Description
Catalog Number:
AG000J11
Chemical Name:
D-Glucopyranoside, methyl, di-(9Z)-9-octadecenoate
CAS Number:
122703-32-6
Molecular Formula:
C43H82O10
Molecular Weight:
759.1052
IUPAC Name:
[(2R,3S,4S,5R)-3,4,5-trihydroxy-2-octadec-9-enoyloxy-6-oxoheptyl] octadec-9-enoate
InChI:
InChI=1S/C43H78O8/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-39(45)50-36-38(42(48)43(49)41(47)37(3)44)51-40(46)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,38,41-43,47-49H,4-17,22-36H2,1-3H3/t38-,41+,42-,43-/m1/s1
InChI Key:
HTUTYWLKRWKVBF-IPOPOTKRSA-N
SMILES:
COC1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O.CCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCC/C=C\CCCCCCCC(=O)O
Properties
Complexity:
885
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
722.57g/mol
Formal Charge:
0
Heavy Atom Count:
51
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
723.089g/mol
Monoisotopic Mass:
722.57g/mol
Rotatable Bond Count:
39
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
12.9
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