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Home > Nitro Compounds > 7284-19-7

7284-19-7

7284-19-7 | 1-(4-Nitrophenyl)-N,N'-Diacetyl-3,6,3',4',6'-penta-O-acetylchitobioside

CAS No: 7284-19-7 Catalog No: AG005OOC MDL No:MFCD09750669

Product Description

Catalog Number:
AG005OOC
Chemical Name:
1-(4-Nitrophenyl)-N,N'-Diacetyl-3,6,3',4',6'-penta-O-acetylchitobioside
CAS Number:
7284-19-7
Molecular Formula:
C32H41N3O18
Molecular Weight:
755.6772
MDL Number:
MFCD09750669
IUPAC Name:
[(2R,3S,4R,5R,6S)-5-acetamido-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4-acetyloxy-6-(4-nitrophenoxy)oxan-2-yl]methyl acetate
InChI:
InChI=1S/C32H41N3O18/c1-14(36)33-25-30(49-20(7)42)28(24(13-46-17(4)39)51-31(25)50-22-10-8-21(9-11-22)35(43)44)53-32-26(34-15(2)37)29(48-19(6)41)27(47-18(5)40)23(52-32)12-45-16(3)38/h8-11,23-32H,12-13H2,1-7H3,(H,33,36)(H,34,37)/t23-,24-,25-,26-,27-,28-,29-,30-,31-,32+/m1/s1
InChI Key:
ZOYHGUZQBNSSRJ-VPAFKTLASA-N
SMILES:
CC(=O)OCC1O[C@@H](Oc2ccc(cc2)[N+](=O)[O-])C(C([C@@H]1O[C@@H]1OC(COC(=O)C)[C@H](C(C1NC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C

Properties

Complexity:
1360  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
10  
Defined Bond Stereocenter Count:
0
Exact Mass:
755.239g/mol
Formal Charge:
0
Heavy Atom Count:
53  
Hydrogen Bond Acceptor Count:
18  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
755.683g/mol
Monoisotopic Mass:
755.239g/mol
Rotatable Bond Count:
18  
Topological Polar Surface Area:
272A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  

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