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886840-56-8 | Red-CLA [Chemiluminescence Reagent],
CAS No: 886840-56-8 Catalog No: AG003U49 MDL No:
Product Description
Catalog Number:
AG003U49
Chemical Name:
Red-CLA [Chemiluminescence Reagent],
CAS Number:
886840-56-8
IUPAC Name:
4-[2-[4-[4-(3-hydroxy-2-methylimidazo[1,2-a]pyrazin-6-yl)phenoxy]butanoylamino]ethylsulfamoyl]-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonate
InChI:
InChI=1S/C50H51N7O9S2/c1-30-50(59)57-29-41(52-28-43(57)54-30)31-12-14-34(15-13-31)65-24-6-11-44(58)51-18-19-53-67(60,61)35-16-17-42(68(62,63)64)38(27-35)45-39-25-32-7-2-20-55-22-4-9-36(46(32)55)48(39)66-49-37-10-5-23-56-21-3-8-33(47(37)56)26-40(45)49/h12-17,25-29,53H,2-11,18-24H2,1H3,(H2-,51,52,58,59,62,63,64)
InChI Key:
USCHMYZSZWGIDF-UHFFFAOYSA-N
Properties
Complexity:
2210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
957.319g/mol
Formal Charge:
0
Heavy Atom Count:
68
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
958.118g/mol
Monoisotopic Mass:
957.319g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
224A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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