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19949-47-4 | β-D-Glucopyranose, 2-O-(2,3,4-tri-O-acetyl-6-deoxy-α-L-mannopyranosyl)-, 1,3,4,6-tetraacetate
CAS No: 19949-47-4 Catalog No: AG002C5X MDL No:
Product Description
Catalog Number:
AG002C5X
Chemical Name:
β-D-Glucopyranose, 2-O-(2,3,4-tri-O-acetyl-6-deoxy-α-L-mannopyranosyl)-, 1,3,4,6-tetraacetate
CAS Number:
19949-47-4
Molecular Formula:
C26H36O17
Molecular Weight:
620.5538
IUPAC Name:
[(2R,3R,4S,5R,6S)-3,4,6-triacetyloxy-5-[(2S,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl acetate
InChI:
InChI=1S/C26H36O17/c1-10-19(36-12(3)28)21(38-14(5)30)23(40-16(7)32)25(35-10)43-24-22(39-15(6)31)20(37-13(4)29)18(9-34-11(2)27)42-26(24)41-17(8)33/h10,18-26H,9H2,1-8H3/t10-,18+,19-,20+,21+,22-,23+,24+,25-,26+/m0/s1
InChI Key:
PXSGTFALWGIXGH-VFBVLVIPSA-N
SMILES:
CC(=O)OC[C@H]1O[C@@H](OC(=O)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C
Properties
Complexity:
1070
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
10
Defined Bond Stereocenter Count:
0
Exact Mass:
620.195g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
17
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
620.557g/mol
Monoisotopic Mass:
620.195g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
212A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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