Home Halogens Phenyl 3,4,6-tri-o-acetyl-2-deoxy-1-thio-2-(2,2,2-trichloroethoxyformamido)-beta-d-glucopyranoside

Phenyl 3,4,6-tri-o-acetyl-2-deoxy-1-thio-2-(2,2,2-trichloroethoxyformamido)-beta-d-glucopyranoside

CAS No.:
187022-49-7
Catalog Number:
AG003TOQ
Molecular Formula:
C21H24Cl3NO9S
Molecular Weight:
572.8406
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Product Description
Catalog Number:
AG003TOQ
Chemical Name:
Phenyl 3,4,6-tri-o-acetyl-2-deoxy-1-thio-2-(2,2,2-trichloroethoxyformamido)-beta-d-glucopyranoside
CAS Number:
187022-49-7
Molecular Formula:
C21H24Cl3NO9S
Molecular Weight:
572.8406
MDL Number:
MFCD15072189
IUPAC Name:
[(2S,3S,4R,5S,6S)-3,4-diacetyloxy-6-phenylsulfanyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]methyl acetate
InChI:
InChI=1S/C21H24Cl3NO9S/c1-11(26)30-9-15-17(32-12(2)27)18(33-13(3)28)16(25-20(29)31-10-21(22,23)24)19(34-15)35-14-7-5-4-6-8-14/h4-8,15-19H,9-10H2,1-3H3,(H,25,29)/t15-,16-,17+,18+,19-/m0/s1
InChI Key:
AZDNCEYOFMNMSH-QTMHVTGLSA-N
SMILES:
O=C(N[C@H]1[C@H](Sc2ccccc2)O[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)COC(=O)C)OCC(Cl)(Cl)Cl
Properties
Complexity:
761  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
571.024g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
572.831g/mol
Monoisotopic Mass:
571.024g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties