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D-glycero-.alpha.-L-talo-Decofuranuronic acid, 1-(6-amino-9H-purin-9-yl)-6-cyano-1,5,6,7,8,9-hexadeoxy-9-[[(1,1-dimethylethoxy)carbonyl]amino]-2,3-O-(1-methylethylidene)-
SpectraBase Compound ID AVZEkl3WPoS
InChI InChI=1S/C25H35N7O7/c1-24(2,3)39-23(34)31-14(22(33)35-6)8-7-13(10-26)9-15-17-18(38-25(4,5)37-17)21(36-15)32-12-30-16-19(27)28-11-29-20(16)32/h11-15,17-18,21H,7-9H2,1-6H3,(H,31,34)(H2,27,28,29)
InChIKey UXBNZRFBFDVKCR-UHFFFAOYSA-N
Mol Weight 545.6 g/mol
Molecular Formula C25H35N7O7
Exact Mass 545.259796 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2XFUyiuMYRT
Name D-glycero-.alpha.-L-talo-Decofuranuronic acid, 1-(6-amino-9H-purin-9-yl)-6-cyano-1,5,6,7,8,9-hexadeoxy-9-[[(1,1-dimethylethoxy)carbonyl]amino]-2,3-O-(1-methylethylidene)-
CAS Registry Number 87884-17-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H35N7O7
InChI InChI=1S/C25H35N7O7/c1-24(2,3)39-23(34)31-14(22(33)35-6)8-7-13(10-26)9-15-17-18(38-25(4,5)37-17)21(36-15)32-12-30-16-19(27)28-11-29-20(16)32/h11-15,17-18,21H,7-9H2,1-6H3,(H,31,34)(H2,27,28,29)
InChIKey UXBNZRFBFDVKCR-UHFFFAOYSA-N
Molecular Weight 545.597 g/mol
SMILES N(C(OC(C)(C)C)=O)C(CCC(CC1C2C(C([n]3c4c(c(ncn4)N)nc3)O1)OC(O2)(C)C)C#N)C(=O)OC
SPLASH splash10-000j-0950630000-9047d9f67bc7ddfc5c06
Source of Spectrum C-105-7639-0
Synonyms 9-(methyl 9(S)-(((tert-butyloxy)carbonyl)amino)-6-cyano-5,6,7,8,9-pentadeoxy-2,3-O-isopropylidene-.beta.-D-ribo-decafuranosyluronate)adenine Furo[3,4-d]-1,3-dioxole, D-glycero-.alpha.-L-talo-decofuranuronic acid deriv. Methyl 6-[6-(6-amino-9H-purin-9-yl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]-2-{[(tert-butoxy)carbonyl]amino}-5-cyanohexanoate
Wiley ID 1405146