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Home > Nitro Compounds > 74792-78-2
74792-78-2 | (2',3')O-(2,4,6-trinitrocyclohexadienylidine)adenosine
CAS No: 74792-78-2 Catalog No: AG00GFSS MDL No:
Product Description
Catalog Number:
AG00GFSS
Chemical Name:
(2',3')O-(2,4,6-trinitrocyclohexadienylidine)adenosine
CAS Number:
74792-78-2
IUPAC Name:
sodium;[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-1',3',5'-trinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methanolate
InChI:
InChI=1S/C16H13N8O10.Na/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(3-25)32-15)33-16(34-12)8(23(28)29)1-6(22(26)27)2-9(16)24(30)31;/h1-2,4-5,7-8,11-12,15H,3H2,(H2,17,18,19);/q-1;+1/t7-,8?,11-,12-,15-,16?;/m1./s1
InChI Key:
IKCKTZDNJROBPG-RUQMBEDUSA-N
Properties
Complexity:
961
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
500.065g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
500.316g/mol
Monoisotopic Mass:
500.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
258A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Fluorescence enhancement of a Meisenheimer complex of adenosine by gamma-cyclodextrin: a thermodynamic and kinetic investigation. | The Journal of organic chemistry 20100618 |
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