Home Halogens a-D-Glucopyranuronic acid, methyl ester, 2,3,4-tribenzoate1-(2,2,2-trichloroethanimidate)

a-D-Glucopyranuronic acid, methyl ester, 2,3,4-tribenzoate1-(2,2,2-trichloroethanimidate)

CAS No.:
169557-99-7
Catalog Number:
AG01DQ0M
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01DQ0M
Chemical Name:
a-D-Glucopyranuronic acid, methyl ester, 2,3,4-tribenzoate1-(2,2,2-trichloroethanimidate)
CAS Number:
169557-99-7
MDL Number:
MFCD07369677
IUPAC Name:
methyl (2S,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(2,2,2-trichloroethanimidoyl)oxyoxane-2-carboxylate
InChI:
InChI=1S/C30H24Cl3NO10/c1-39-27(38)22-20(40-24(35)17-11-5-2-6-12-17)21(41-25(36)18-13-7-3-8-14-18)23(28(43-22)44-29(34)30(31,32)33)42-26(37)19-15-9-4-10-16-19/h2-16,20-23,28,34H,1H3/t20-,21-,22-,23+,28+/m0/s1
InChI Key:
NEJKVTFPWPZGFX-WLGPCAMQSA-N
Properties
Complexity:
1030  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
663.047g/mol
Formal Charge:
0
Heavy Atom Count:
44  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
664.869g/mol
Monoisotopic Mass:
663.047g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6  
Properties