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85193-88-0

85193-88-0 | 4-Nitrophenyl 2-acetamido-3,6-di-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-b-D-galactopyranosyl)-2-deoxy-b-D-glucopyranoside

CAS No: 85193-88-0 Catalog No: AG004MG6 MDL No:MFCD04039640

Product Description

Catalog Number:
AG004MG6
Chemical Name:
4-Nitrophenyl 2-acetamido-3,6-di-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-b-D-galactopyranosyl)-2-deoxy-b-D-glucopyranoside
CAS Number:
85193-88-0
Molecular Formula:
C32H40N2O19
Molecular Weight:
756.6620
MDL Number:
MFCD04039640
IUPAC Name:
[(2R,3S,4R,5R,6S)-5-acetamido-4-acetyloxy-6-(4-nitrophenoxy)-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
InChI:
InChI=1S/C32H40N2O19/c1-14(35)33-25-28(47-18(5)39)26(23(12-44-15(2)36)51-31(25)50-22-10-8-21(9-11-22)34(42)43)53-32-30(49-20(7)41)29(48-19(6)40)27(46-17(4)38)24(52-32)13-45-16(3)37/h8-11,23-32H,12-13H2,1-7H3,(H,33,35)/t23-,24-,25-,26-,27+,28-,29+,30-,31-,32+/m1/s1
InChI Key:
LXUSBVSVBLRAJQ-ZXVVBKGMSA-N
SMILES:
CC(=O)OCC1OC(Oc2ccc(cc2)[N+](=O)[O-])C(C(C1OC1OC(COC(=O)C)C(C(C1OC(=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:
756.223g/mol
Formal Charge:
0
Heavy Atom Count:
53  
Hydrogen Bond Acceptor Count:
19  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
756.667g/mol
Monoisotopic Mass:
756.223g/mol
Rotatable Bond Count:
19  
Topological Polar Surface Area:
270A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  

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