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81028-98-0 | 1,6-Anhydro-3,4-O-isopropylidene-2-tosyl-β-D-galactopyranose
CAS No: 81028-98-0 Catalog No: AG0056GF MDL No:
Product Description
Catalog Number:
AG0056GF
Chemical Name:
1,6-Anhydro-3,4-O-isopropylidene-2-tosyl-β-D-galactopyranose
CAS Number:
81028-98-0
Molecular Formula:
C16H20O7S
Molecular Weight:
356.3908
IUPAC Name:
[(1R,2S,6S,7R,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-yl] 4-methylbenzenesulfonate
InChI:
InChI=1S/C16H20O7S/c1-9-4-6-10(7-5-9)24(17,18)23-14-13-12(21-16(2,3)22-13)11-8-19-15(14)20-11/h4-7,11-15H,8H2,1-3H3/t11-,12+,13+,14-,15-/m1/s1
InChI Key:
ZRGAFSDLQODLRO-GZBLMMOJSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O[C@@H]1C2OCC(O2)C2[C@@H]1OC(O2)(C)C
EC Number:
279-668-2
Properties
Complexity:
576
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
356.093g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.389g/mol
Monoisotopic Mass:
356.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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