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87190-67-8 | 3,4,6-Tri-O-acetyl-2-deoxy-2-phthalimido-beta-D-glucopyranosyl 2,2,2-Trichloroacetimidate
CAS No: 87190-67-8 Catalog No: AG003IF7 MDL No:
Product Description
Catalog Number:
AG003IF7
Chemical Name:
3,4,6-Tri-O-acetyl-2-deoxy-2-phthalimido-beta-D-glucopyranosyl 2,2,2-Trichloroacetimidate
CAS Number:
87190-67-8
IUPAC Name:
[(2S,3S,4R,5S,6S)-3,4-diacetyloxy-5-(1,3-dioxoisoindol-2-yl)-6-(2,2,2-trichloroethanimidoyl)oxyoxan-2-yl]methyl acetate
InChI:
InChI=1S/C22H21Cl3N2O10/c1-9(28)33-8-14-16(34-10(2)29)17(35-11(3)30)15(20(36-14)37-21(26)22(23,24)25)27-18(31)12-6-4-5-7-13(12)19(27)32/h4-7,14-17,20,26H,8H2,1-3H3/t14-,15-,16+,17+,20-/m0/s1
InChI Key:
QFMXBNNTESGIBS-WNSDDWSPSA-N
Properties
Complexity:
947
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
578.026g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
579.764g/mol
Monoisotopic Mass:
578.026g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
159A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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