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
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![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 structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f7a72610e6804f31b6936a760468b4be.png "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")
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
structure -
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CAS No:
74792-78-2
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Formula:
C16H13N8NaO10
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Chemical 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
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Synonyms:
(2',3')O-(2,4,6-trinitrocyclohexadienylidine)adenosine;TNP-Ado;Tnp-ado;(2',3')O-(2,4,6-trinitrocyclohexadienylidine)adenosine;Adenosine, 2',3'-O-(2,4,6-trinitro-2,4-cyclohexadien-1-ylidene)-, ion(1-), sodium;74792-78-2
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CAS No:
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 Basic Attributes
500.31 g/mol
500.06523292 g/mol
Computed Properties
Molecular Weight:500.31
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:2
Exact Mass:500.06523292
Monoisotopic Mass:500.06523292
Topological Polar Surface Area:258
Heavy Atom Count:35
Complexity:961
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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