[[(4R,6R)-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]methoxy-hydroxyphosphoryl] hydrogen phosphate
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[[(4R,6R)-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]methoxy-hydroxyphosphoryl] hydrogen phosphate
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CAS No:
77450-67-0
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Formula:
C16H15N8O16P2-
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Chemical Name:
[[(4R,6R)-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]methoxy-hydroxyphosphoryl] hydrogen phosphate
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Synonyms:
2',3' O-(2,4,6-trinitrophenyl)adenosine 5'-diphosphate;2,4,6-TAD;2,4,6-Tad;77450-67-0;2',3' O-(2,4,6-trinitrophenyl)adenosine 5'-diphosphate;Adenosine 5'-(trihydrogen diphosphate), 2'(or 3')-O-(2,4,6-trinitrophenyl)-
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CAS No:
[[(4R,6R)-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]methoxy-hydroxyphosphoryl] hydrogen phosphate Basic Attributes
637.3 g/mol
637.00812542 g/mol
Computed Properties
Molecular Weight:637.3
XLogP3:-3.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:20
Rotatable Bond Count:6
Exact Mass:637.00812542
Monoisotopic Mass:637.00812542
Topological Polar Surface Area:351
Heavy Atom Count:42
Formal Charge:-1
Complexity:1310
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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