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23312-76-7 | Adenosine, cyclic 2',3'-(phenylboronate) 5'-(4-methylbenzenesulfonate) (9CI)
CAS No: 23312-76-7 Catalog No: AG002MV5 MDL No:
Product Description
Catalog Number:
AG002MV5
Chemical Name:
Adenosine, cyclic 2',3'-(phenylboronate) 5'-(4-methylbenzenesulfonate) (9CI)
CAS Number:
23312-76-7
IUPAC Name:
[4-(6-aminopurin-9-yl)-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaborol-6-yl]methyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C23H22BN5O6S/c1-14-7-9-16(10-8-14)36(30,31)32-11-17-19-20(35-24(34-19)15-5-3-2-4-6-15)23(33-17)29-13-28-18-21(25)26-12-27-22(18)29/h2-10,12-13,17,19-20,23H,11H2,1H3,(H2,25,26,27)
InChI Key:
IWMSPUDWXWZADL-UHFFFAOYSA-N
Properties
Complexity:
868
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
507.138g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
507.328g/mol
Monoisotopic Mass:
507.138g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
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