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6291-42-5 | Lactose octaacetate
CAS No: 6291-42-5 Catalog No: AG003R75 MDL No:
Product Description
Catalog Number:
AG003R75
Chemical Name:
Lactose octaacetate
CAS Number:
6291-42-5
Molecular Formula:
C28H38O19
Molecular Weight:
678.5899
IUPAC Name:
[(2R,3R,4S,5R,6S)-4,5,6-triacetyloxy-3-[(2S,3R,4S,5S,6R)-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/t19-,20-,21+,22-,23+,24+,25-,26-,27-,28+/m1/s1
InChI Key:
WOTQVEKSRLZRSX-HHZNOXSWSA-N
SMILES:
CC(=O)OC[C@H]1O[C@H](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:
10
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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