[(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-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 dihydrogen phosphate
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![[(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-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 dihydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e3ab33d35b884c38ae7779dddb2c6490.png "[(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-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 dihydrogen phosphate")
[(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-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 dihydrogen phosphate
structure -
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CAS No:
141802-28-0
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Formula:
C15H14N5O15P
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Chemical Name:
[(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-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 dihydrogen phosphate
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Synonyms:
2',3'-O-(2,4,6--trinitrocyclohexadienylidene)uridine 5'-monophosphate;O-TNP-UMP;141802-28-0;O-Tnp-ump;DTXSID00931204;2',3'-O-(2,4,6--trinitrocyclohexadienylidene)uridine 5'-monophosphate;4-Hydroxy-1-[5-O-phosphono-2,3-O-(2,4,6-trinitrocyclohexa-2,4-diene-1,1-diyl)pentofuranosyl]pyrimidin-2(1H)-one
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CAS No:
[(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-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 dihydrogen phosphate Basic Attributes
535.27 g/mol
535.02240175 g/mol
Computed Properties
Molecular Weight:535.27
XLogP3:-3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:4
Exact Mass:535.02240175
Monoisotopic Mass:535.02240175
Topological Polar Surface Area:281
Heavy Atom Count:36
Complexity:1180
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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