[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-[4-[2-chloroethyl(methyl)amino]phenyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl dihydrogen phosphate
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[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-[4-[2-chloroethyl(methyl)amino]phenyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl dihydrogen phosphate
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CAS No:
47764-28-3
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Formula:
C20H24ClN6O7P
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Chemical Name:
[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-[4-[2-chloroethyl(methyl)amino]phenyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl dihydrogen phosphate
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Synonyms:
47764-28-3;2',3'-O-((4-((2-Chloroethyl)methylamino)phenyl)methylene)-5'-adenylic acid;DTXSID30963932;5'-Adenylic acid, 2',3'-O-((4-((2-chloroethyl)methylamino)phenyl)methylene)-;9-[2,3-O-({4-[(2-Chloroethyl)(methyl)amino]phenyl}methylidene)-5-O-phosphonopentofuranosyl]-9H-purin-6-amine
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CAS No:
[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-[4-[2-chloroethyl(methyl)amino]phenyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl dihydrogen phosphate Basic Attributes
526.9 g/mol
526.1132618 g/mol
Computed Properties
Molecular Weight:526.9
XLogP3:-0.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:8
Exact Mass:526.1132618
Monoisotopic Mass:526.1132618
Topological Polar Surface Area:167
Heavy Atom Count:35
Complexity:776
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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