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121951-69-7 | 9,11-dimethylmethano-11,12-methano-16-(3-iodo-4-azidophenyl)-13,14-dihydro-13-aza-15-tetranorthromboxane A2
CAS No: 121951-69-7 Catalog No: AG00AG4S MDL No:
Product Description
Catalog Number:
AG00AG4S
Chemical Name:
9,11-dimethylmethano-11,12-methano-16-(3-iodo-4-azidophenyl)-13,14-dihydro-13-aza-15-tetranorthromboxane A2
CAS Number:
121951-69-7
IUPAC Name:
(E)-7-[3-[[3-(4-azido-3-iodophenyl)-2-hydroxypropyl]amino]-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
InChI:
InChI=1S/C25H35IN4O3/c1-25(2)17-13-20(25)19(7-5-3-4-6-8-24(32)33)23(14-17)28-15-18(31)11-16-9-10-22(29-30-27)21(26)12-16/h3,5,9-10,12,17-20,23,28,31H,4,6-8,11,13-15H2,1-2H3,(H,32,33)/b5-3+
InChI Key:
YRLMUHINPXAYAG-HWKANZROSA-N
Properties
Complexity:
739
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
566.175g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
566.484g/mol
Monoisotopic Mass:
566.175g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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