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71208-01-0

71208-01-0 | Benzyl 2-Acetamido-6-O-benzyl-4-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-2-deoxy-α-D-glucopyranoside

CAS No: 71208-01-0 Catalog No: AG005KCA MDL No:

Product Description

Catalog Number:
AG005KCA
Chemical Name:
Benzyl 2-Acetamido-6-O-benzyl-4-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-2-deoxy-α-D-glucopyranoside
CAS Number:
71208-01-0
Molecular Formula:
C36H45NO15
Molecular Weight:
731.7402
IUPAC Name:
[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
InChI:
InChI=1S/C36H45NO15/c1-20(38)37-29-30(43)31(27(18-44-16-25-12-8-6-9-13-25)50-35(29)46-17-26-14-10-7-11-15-26)52-36-34(49-24(5)42)33(48-23(4)41)32(47-22(3)40)28(51-36)19-45-21(2)39/h6-15,27-36,43H,16-19H2,1-5H3,(H,37,38)/t27-,28-,29-,30-,31-,32+,33+,34-,35+,36+/m1/s1
InChI Key:
VGBWYAPUIAFWOX-UMDPMRKTSA-N
SMILES:
CC(=O)OCC1O[C@@H](O[C@@H]2C(COCc3ccccc3)O[C@@H]([C@H]([C@H]2O)NC(=O)C)OCc2ccccc2)[C@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C

Properties

Complexity:
1190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
10  
Defined Bond Stereocenter Count:
0
Exact Mass:
731.279g/mol
Formal Charge:
0
Heavy Atom Count:
52  
Hydrogen Bond Acceptor Count:
15  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
731.748g/mol
Monoisotopic Mass:
731.279g/mol
Rotatable Bond Count:
19  
Topological Polar Surface Area:
201A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

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