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140223-15-0 | L-Galactopyranose, 6-deoxy-, 1,2,3,4-tetrabenzoate
CAS No: 140223-15-0 Catalog No: AG001C6D MDL No:
Product Description
Catalog Number:
AG001C6D
Chemical Name:
L-Galactopyranose, 6-deoxy-, 1,2,3,4-tetrabenzoate
CAS Number:
140223-15-0
Molecular Formula:
C34H28O9
Molecular Weight:
580.5807
IUPAC Name:
[(2S,3R,4R,5S)-4,5,6-tribenzoyloxy-2-methyloxan-3-yl] benzoate
InChI:
InChI=1S/C34H28O9/c1-22-27(40-30(35)23-14-6-2-7-15-23)28(41-31(36)24-16-8-3-9-17-24)29(42-32(37)25-18-10-4-11-19-25)34(39-22)43-33(38)26-20-12-5-13-21-26/h2-22,27-29,34H,1H3/t22-,27+,28+,29-,34?/m0/s1
InChI Key:
RLJCRSFLYYQNAK-IMLHYIKCSA-N
SMILES:
C[C@@H]1OC(OC(=O)c2ccccc2)[C@H]([C@@H]([C@@H]1OC(=O)c1ccccc1)OC(=O)c1ccccc1)OC(=O)c1ccccc1
Properties
Complexity:
942
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
580.173g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
580.589g/mol
Monoisotopic Mass:
580.173g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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