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Home > Encyclopedia > [[(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

[[(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

[[(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 structure

[[(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 

structure
  • CAS No:

    77450-67-0

  • Formula:

    C16H15N8O16P2-

  • 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

  • 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)-

[[(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

Characteristics

351 Ų

Drug Information

2',3' O-(2,4,6-trinitrophenyl)adenosine 5'-diphosphate

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

Guide of [[(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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