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83345-63-5 | 9-(α-D-Galactopyranosyloxy)nonanoic Acid
CAS No: 83345-63-5 Catalog No: AG0055MX MDL No:
Product Description
Catalog Number:
AG0055MX
Chemical Name:
9-(α-D-Galactopyranosyloxy)nonanoic Acid
CAS Number:
83345-63-5
Molecular Formula:
C15H28O8
Molecular Weight:
336.3780
IUPAC Name:
9-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoic acid
InChI:
InChI=1S/C15H28O8/c16-9-10-12(19)13(20)14(21)15(23-10)22-8-6-4-2-1-3-5-7-11(17)18/h10,12-16,19-21H,1-9H2,(H,17,18)/t10-,12+,13+,14-,15?/m1/s1
InChI Key:
PNKLPLHMJDGCNY-QLABQVJUSA-N
SMILES:
OC[C@H]1O[C@H](OCCCCCCCCC(=O)O)[C@@H]([C@H]([C@H]1O)O)O
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
336.178g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
336.381g/mol
Monoisotopic Mass:
336.178g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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