2-(6,12-dimethyl-4-thia-2,7,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(13),2,5,9,11-pentaen-5-yl)ethyl phosphono hydrogen phosphate
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![2-(6,12-dimethyl-4-thia-2,7,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(13),2,5,9,11-pentaen-5-yl)ethyl phosphono hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/eeaf23ccd8eb4f07b3722174bcd33627.png "2-(6,12-dimethyl-4-thia-2,7,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(13),2,5,9,11-pentaen-5-yl)ethyl phosphono hydrogen phosphate")
2-(6,12-dimethyl-4-thia-2,7,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(13),2,5,9,11-pentaen-5-yl)ethyl phosphono hydrogen phosphate
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CAS No:
13185-55-2
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Formula:
C12H16N4O7P2S
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Chemical Name:
2-(6,12-dimethyl-4-thia-2,7,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(13),2,5,9,11-pentaen-5-yl)ethyl phosphono hydrogen phosphate
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Synonyms:
thiochrome diphosphate;13185-55-2;Thiochrome diphosphate;2-(2,7-dimethyl-5h-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-8-yl)ethyl trihydrogen diphosphate;DTXSID10927370;Diphosphoric acid, mono(2-(2,7-dimethyl-5H-pyrimido(4,5-d)thiazolo(3,2-a)pyrimidin-8-yl)ethyl) ester
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CAS No:
2-(6,12-dimethyl-4-thia-2,7,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(13),2,5,9,11-pentaen-5-yl)ethyl phosphono hydrogen phosphate Basic Attributes
422.29 g/mol
422.02149403 g/mol
Computed Properties
Molecular Weight:422.29
XLogP3:-1.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:6
Exact Mass:422.02149403
Monoisotopic Mass:422.02149403
Topological Polar Surface Area:180
Heavy Atom Count:26
Complexity:726
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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