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Home > Nitro Compounds > 78006-49-2
78006-49-2 | 4-Nitrophenyl hepta-O-acetyl-1-thio-b-lactoside
CAS No: 78006-49-2 Catalog No: AG01DQ07 MDL No:MFCD05664736
Product Description
Catalog Number:
AG01DQ07
Chemical Name:
4-Nitrophenyl hepta-O-acetyl-1-thio-b-lactoside
CAS Number:
78006-49-2
MDL Number:
MFCD05664736
IUPAC Name:
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-(4-nitrophenyl)sulfanyloxan-3-yl]oxyoxan-2-yl]methyl acetate
InChI:
InChI=1S/C32H39NO19S/c1-14(34)43-12-23-25(45-16(3)36)27(46-17(4)37)29(48-19(6)39)31(50-23)52-26-24(13-44-15(2)35)51-32(30(49-20(7)40)28(26)47-18(5)38)53-22-10-8-21(9-11-22)33(41)42/h8-11,23-32H,12-13H2,1-7H3/t23-,24-,25+,26-,27+,28+,29-,30-,31+,32+/m1/s1
InChI Key:
SAIAHHDNZPUKBH-AJUMBUHLSA-N
Properties
Complexity:
1360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
10
Defined Bond Stereocenter Count:
0
Exact Mass:
773.184g/mol
Formal Charge:
0
Heavy Atom Count:
53
Hydrogen Bond Acceptor Count:
20
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
773.712g/mol
Monoisotopic Mass:
773.184g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
283A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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