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123809-60-9 | D-Mannopyranose, 6-O-(2,3,4,6-tetra-O-acetyl-α-D-mannopyranosyl)-, 1,2,3,4-tetraacetate
CAS No: 123809-60-9 Catalog No: AG000L4O MDL No:
Product Description
Catalog Number:
AG000L4O
Chemical Name:
D-Mannopyranose, 6-O-(2,3,4,6-tetra-O-acetyl-α-D-mannopyranosyl)-, 1,2,3,4-tetraacetate
CAS Number:
123809-60-9
Molecular Formula:
C28H38O19
Molecular Weight:
678.5899
IUPAC Name:
[(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[[(2R,3R,4S,5S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate
InChI:
InChI=1S/C28H38O19/c1-11(29)37-9-19-21(39-12(2)30)23(41-14(4)32)25(43-16(6)34)27(46-19)38-10-20-22(40-13(3)31)24(42-15(5)33)26(44-17(7)35)28(47-20)45-18(8)36/h19-28H,9-10H2,1-8H3/t19-,20-,21-,22-,23+,24+,25+,26+,27+,28?/m1/s1
InChI Key:
GNTLGGDVHFXGLI-RHRLCGFESA-N
SMILES:
CC(=O)OC[C@H]1O[C@H](OC[C@H]2OC(OC(=O)C)[C@H]([C@H]([C@@H]2OC(=O)C)OC(=O)C)OC(=O)C)[C@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
Properties
Complexity:
1200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
9
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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