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9H-Purine-9-butanoic acid, .alpha.,.beta.-bis(acetyloxy)-6-amino-, methyl ester, [R-(R*,R*)]-
SpectraBase Compound ID AiJQnMs5lm1
InChI InChI=1S/C14H17N5O6/c1-7(20)24-9(11(14(22)23-3)25-8(2)21)4-19-6-18-10-12(15)16-5-17-13(10)19/h5-6,9,11H,4H2,1-3H3,(H2,15,16,17)
InChIKey RMQUTIUKCXKCJM-UHFFFAOYSA-N
Mol Weight 351.32 g/mol
Molecular Formula C14H17N5O6
Exact Mass 351.117883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BIcn4RF9qK6
Name 9H-Purine-9-butanoic acid, .alpha.,.beta.-bis(acetyloxy)-6-amino-, methyl ester, [R-(R*,R*)]-
Alternate Name(s) Methyl 2,3-bis(acetyloxy)-4-(6-amino-9H-purin-9-yl)butanoate 2,3-Diacetoxy-4-adenin-9-yl-butyric acid methyl ester 2,3-Diacetyloxy-4-(6-aminopurin-9-yl)butanoic acid methyl ester Erythronic acid, 4-(6-amino-9H-purin-9-yl)-4-deoxy-, methyl ester, 2,3-diacetate, D- Methyl 2,3-diacetoxy-4-(6-aminopurin-9-yl)butanoate Methyl 2,3-diacetyloxy-4-(6-aminopurin-9-yl)butanoate
CAS Registry Number 25616-64-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17N5O6
InChI InChI=1S/C14H17N5O6/c1-7(20)24-9(11(14(22)23-3)25-8(2)21)4-19-6-18-10-12(15)16-5-17-13(10)19/h5-6,9,11H,4H2,1-3H3,(H2,15,16,17)
InChIKey RMQUTIUKCXKCJM-UHFFFAOYSA-N
Molecular Weight 351.319 g/mol
SMILES Nc1c2c(ncn1)[n](cn2)CC(C(C(=O)OC)OC(C)=O)OC(C)=O
SPLASH splash10-05mw-3962000000-6d2dbb6e6de7ae5e2cef
Source of Spectrum AD-0-3757-0
Wiley ID 52041