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5'-O-[Diethyl(ethoxycarbonyl)phosphonomethyl]-2',3'-O-isopropylidene adenosine
SpectraBase Compound ID 9VWqMLzKXjC
InChI InChI=1S/C21H32N5O9P/c1-6-29-19(27)20(36(28,31-7-2)32-8-3)30-9-12-14-15(35-21(4,5)34-14)18(33-12)26-11-25-13-16(22)23-10-24-17(13)26/h10-12,14-15,18,20H,6-9H2,1-5H3,(H2,22,23,24)/t12-,14-,15-,18-,20?/m1/s1
InChIKey RTHLDEDPLVSDDK-WXNRVYFKSA-N
Mol Weight 529.5 g/mol
Molecular Formula C21H32N5O9P
Exact Mass 529.193765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 96cYGJiSIvK
Name 5'-O-[Diethyl(ethoxycarbonyl)phosphonomethyl]-2',3'-O-isopropylidene adenosine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32N5O9P
InChI InChI=1S/C21H32N5O9P/c1-6-29-19(27)20(36(28,31-7-2)32-8-3)30-9-12-14-15(35-21(4,5)34-14)18(33-12)26-11-25-13-16(22)23-10-24-17(13)26/h10-12,14-15,18,20H,6-9H2,1-5H3,(H2,22,23,24)/t12-,14-,15-,18-,20?/m1/s1
InChIKey RTHLDEDPLVSDDK-WXNRVYFKSA-N
Molecular Weight 529.487 g/mol
SMILES Nc1c2c([n]([C@]3([C@]4([C@](OC(O4)(C)C)([C@](O3)(COC(P(=O)(OCC)OCC)C(=O)OCC)[H])[H])[H])[H])cn2)ncn1
SPLASH splash10-0006-9430000000-d63e3ba6eb976eae0ef2
Source of Spectrum F-68-1907-44
Synonyms [(3aR,4R,6R,6aR)-6-(6-Amino-purin-9-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-ylmethoxy]-(diethoxy-phosphoryl)-acetic acid ethyl ester
Wiley ID 1707951