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123809-59-6 | D-Mannopyranose, 4-O-(2,3,4,6-tetra-O-acetyl-α-D-mannopyranosyl)-, tetraacetate (9CI)
CAS No: 123809-59-6 Catalog No: AG000L3J MDL No:
Product Description
Catalog Number:
AG000L3J
Chemical Name:
D-Mannopyranose, 4-O-(2,3,4,6-tetra-O-acetyl-α-D-mannopyranosyl)-, tetraacetate (9CI)
CAS Number:
123809-59-6
Molecular Formula:
C28H38O19
Molecular Weight:
678.5899
IUPAC Name:
[4,5,6-triacetyloxy-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
InChI:
InChI=1S/C28H38O19/c1-11(29)37-9-19-21(39-13(3)31)23(40-14(4)32)26(43-17(7)35)28(46-19)47-22-20(10-38-12(2)30)45-27(44-18(8)36)25(42-16(6)34)24(22)41-15(5)33/h19-28H,9-10H2,1-8H3
InChI Key:
WOTQVEKSRLZRSX-UHFFFAOYSA-N
SMILES:
CC(=O)OC[C@H]1OC(OC(=O)C)[C@H]([C@H]([C@@H]1O[C@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Properties
Complexity:
1200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
678.201g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
19
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
678.593g/mol
Monoisotopic Mass:
678.201g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
238A^2
Undefined Atom Stereocenter Count:
10
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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