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29742-56-1 | 1,2,3,4-Tetrahydro-1-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-glucopyranosyl)quinoline
CAS No: 29742-56-1 Catalog No: AG00CFCC MDL No:
Product Description
Catalog Number:
AG00CFCC
Chemical Name:
1,2,3,4-Tetrahydro-1-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-glucopyranosyl)quinoline
CAS Number:
29742-56-1
IUPAC Name:
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(3,4-dihydro-2H-quinolin-1-yl)oxan-2-yl]methyl acetate
InChI:
InChI=1S/C23H29NO9/c1-13(25)29-12-19-20(30-14(2)26)21(31-15(3)27)22(32-16(4)28)23(33-19)24-11-7-9-17-8-5-6-10-18(17)24/h5-6,8,10,19-23H,7,9,11-12H2,1-4H3/t19-,20-,21+,22-,23-/m1/s1
InChI Key:
JIOXVEQZAZJKPU-XNBWIAOKSA-N
Properties
Complexity:
741
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
463.184g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
463.483g/mol
Monoisotopic Mass:
463.184g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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