 Home > Encyclopedia > [(3aR,4R,6R,6aR)-4-(6-amino-8-azidopurin-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]methyl phosphono phosphate

[(3aR,4R,6R,6aR)-4-(6-amino-8-azidopurin-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]methyl phosphono phosphate

[(3aR,4R,6R,6aR)-4-(6-amino-8-azidopurin-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]methyl phosphono phosphate structure

CAS No:
120218-68-0
Formula:
C16H14N11O16P2-
Chemical Name:
[(3aR,4R,6R,6aR)-4-(6-amino-8-azidopurin-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]methyl phosphono phosphate
Synonyms:
2'(3')-O-(2,4,6-trinitrophenyl)-8-azidoadenosine 5'-diphosphate;2',3'-O (2,4,6-trinitrophenyl)-8-azidoadenosine diphosphate;2,3-TPADP;TNP-8N(3)-ADP;TNP-8N3-ADP;2,3-Tpadp;120218-68-0;2',3'-O (2,4,6-Trinitrophenyl)-8-azidoadenosine diphosphate;2'(3')-O-(2,4,6-Trinitrophenyl)-8-azidoadenosine 5'-diphosphate;Adenosine 5'-(trihydrogen diphosphate), 8-azido-2',3'-O-(2,4,6-trinitro-2,4-cyclohexadien-1-ylidene)-, ion(1-)

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[(3aR,4R,6R,6aR)-4-(6-amino-8-azidopurin-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]methyl phosphono phosphate Basic Attributes

Molecular Weight：

678.3 g/mol

Exact Mass：

678.00952240 g/mol

Characteristics

PSA：

365 Å²

Drug Information

MeSH Entry Terms：

2'(3')-O-(2,4,6-trinitrophenyl)-8-azidoadenosine 5'-diphosphate

Computed Properties

Molecular Weight:678.3
XLogP3:-2.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:22
Rotatable Bond Count:7
Exact Mass:678.00952240
Monoisotopic Mass:678.00952240
Topological Polar Surface Area:365
Heavy Atom Count:45
Formal Charge:-1
Complexity:1460
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:2
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(3aR,4R,6R,6aR)-4-(6-amino-8-azidopurin-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]methyl phosphono phosphate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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