Home Nitros 2-Chloro-4-nitrophenyl-b-D-cellotetraoside

2-Chloro-4-nitrophenyl-b-D-cellotetraoside

CAS No.:
189094-93-7
Catalog Number:
AG01E72L
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01E72L
Chemical Name:
2-Chloro-4-nitrophenyl-b-D-cellotetraoside
CAS Number:
189094-93-7
MDL Number:
MFCD28064284
IUPAC Name:
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-(2-chloro-4-nitrophenoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C30H44ClNO23/c31-9-3-8(32(46)47)1-2-10(9)48-27-21(43)17(39)24(12(5-34)50-27)54-29-23(45)19(41)26(14(7-36)52-29)55-30-22(44)18(40)25(13(6-35)51-30)53-28-20(42)16(38)15(37)11(4-33)49-28/h1-3,11-30,33-45H,4-7H2/t11-,12-,13-,14-,15-,16+,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29+,30+/m1/s1
InChI Key:
WOQXBWUIUQFCGE-HGEVGGQQSA-N
Properties
Complexity:
1230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
20  
Defined Bond Stereocenter Count:
0
Exact Mass:
821.199g/mol
Formal Charge:
0
Heavy Atom Count:
55  
Hydrogen Bond Acceptor Count:
23  
Hydrogen Bond Donor Count:
13  
Isotope Atom Count:
0
Molecular Weight:
822.116g/mol
Monoisotopic Mass:
821.199g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
383A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.2  
Properties