1-(2-nitrophenyl)ethyl (2,4,5-trihydroxy-3,6-diphosphonooxycyclohexyl) hydrogen phosphate
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1-(2-nitrophenyl)ethyl (2,4,5-trihydroxy-3,6-diphosphonooxycyclohexyl) hydrogen phosphate
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CAS No:
119147-21-6
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Formula:
C14H22NO17P3
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Chemical Name:
1-(2-nitrophenyl)ethyl (2,4,5-trihydroxy-3,6-diphosphonooxycyclohexyl) hydrogen phosphate
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Synonyms:
1,4-bis(dihydrogen phosphate)-4-(1-(nitrophenyl)ethyl hydrogen phosphate)-D-myo-inositol;1,4-bis(dihydrogen phosphate)-4-isomer of inositol 1,4,5-trisphosphate 1-(2-nitrophenyl)ethyl ester;1,4-bis(dihydrogen phosphate)-5-(1-(nitrophenyl)ethyl hydrogen phosphate)-D-myo-inositol;caged INSP3;caged IP3;inositol 1,4,5-trisphosphate 1-(2-nitrophenyl)ethyl ester;Caged insp3;119147-21-6;Caged IP3;DTXSID80922877;inositol 1,4,5-trisphosphate 1-(2-nitrophenyl)ethyl ester;1,4-Bis(dihydrogen phosphate)-4-(1-(nitrophenyl)ethyl hydrogen phosphate)-D-myo-inositol;1,4-Bis(dihydrogen phosphate)-5-(1-(nitrophenyl)ethyl hydrogen phosphate)-D-myo-inositol;1-(2-nitrophenyl)ethyl (2,4,5-trihydroxy-3,6-diphosphonooxycyclohexyl) hydrogen phosphate;2,3,5-Trihydroxy-6-({hydroxy[1-(2-nitrophenyl)ethoxy]phosphoryl}oxy)cyclohexane-1,4-diyl bis[dihydrogen (phosphate)];D-myo-Inositol, 1,4-bis(dihydrogen phosphate) 5-(1-(2-nitrophenyl)ethyl hydrogen phosphate)
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CAS No:
1-(2-nitrophenyl)ethyl (2,4,5-trihydroxy-3,6-diphosphonooxycyclohexyl) hydrogen phosphate Basic Attributes
569.24 g/mol
569.01005923 g/mol
Drug Information
1,4-bis(dihydrogen phosphate)-4-(1-(nitrophenyl)ethyl hydrogen phosphate)-D-myo-inositol
Computed Properties
Molecular Weight:569.24
XLogP3:-4.7
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:9
Exact Mass:569.01005923
Monoisotopic Mass:569.01005923
Topological Polar Surface Area:296
Heavy Atom Count:35
Complexity:886
Undefined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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