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71746-11-7 | D-Glucammonium, N-(3-acetamido-5-(methylcarbamoyl)-2,4,6-triiodobenzyl )-N-(2,3-dihydroxypropyl)-N-methyl-, chloride
CAS No: 71746-11-7 Catalog No: AG00FNFK MDL No:
Product Description
Catalog Number:
AG00FNFK
Chemical Name:
D-Glucammonium, N-(3-acetamido-5-(methylcarbamoyl)-2,4,6-triiodobenzyl )-N-(2,3-dihydroxypropyl)-N-methyl-, chloride
CAS Number:
71746-11-7
IUPAC Name:
[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]methyl-(2,3-dihydroxypropyl)-methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]azanium;chloride
InChI:
InChI=1S/C21H32I3N3O9.ClH/c1-9(30)26-18-16(23)11(15(22)14(17(18)24)21(36)25-2)5-27(3,4-10(31)7-28)6-12(32)19(34)20(35)13(33)8-29;/h10,12-13,19-20,28-29,31-35H,4-8H2,1-3H3,(H-,25,26,30,36);1H/t10?,12-,13+,19+,20+,27?;/m0./s1
InChI Key:
PUVYNKNURRAWLH-CKOJLFTCSA-N
Properties
Complexity:
727
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
886.904g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
0
Molecular Weight:
887.67g/mol
Monoisotopic Mass:
886.904g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
200A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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