Home Halogens β-D-Lactopyranoside 1-(2,2,2-TrichloroethaniMidate) Heptaacetate

β-D-Lactopyranoside 1-(2,2,2-TrichloroethaniMidate) Heptaacetate

CAS No.:
1142022-76-1
Catalog Number:
AG008VQ4
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG008VQ4
Chemical Name:
β-D-Lactopyranoside 1-(2,2,2-TrichloroethaniMidate) Heptaacetate
CAS Number:
1142022-76-1
MDL Number:
MFCD31562383
IUPAC Name:
[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-6-(2,2,2-trichloroethanimidoyl)oxyoxan-2-yl]methyl acetate
InChI:
InChI=1S/C28H36Cl3NO18/c1-10(33)40-8-17-19(42-12(3)35)21(43-13(4)36)23(45-15(6)38)25(47-17)49-20-18(9-41-11(2)34)48-26(50-27(32)28(29,30)31)24(46-16(7)39)22(20)44-14(5)37/h17-26,32H,8-9H2,1-7H3/t17-,18-,19+,20-,21+,22+,23-,24-,25+,26+/m1/s1
InChI Key:
QUJSSIATSJUBGC-NDMRNNIMSA-N
Properties
Complexity:
1310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
10  
Defined Bond Stereocenter Count:
0
Exact Mass:
779.1g/mol
Formal Charge:
0
Heavy Atom Count:
50  
Hydrogen Bond Acceptor Count:
19  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
780.935g/mol
Monoisotopic Mass:
779.1g/mol
Rotatable Bond Count:
20  
Topological Polar Surface Area:
245A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties