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(2R,3R,4S,5R,6R)-2-(6-(4-acetoxy-3-methylbutylamino)-7H-purin-7-yl)-6-(acetoxymethyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate

View entire compound with spectra: 1 MS (GC)

(2R,3R,4S,5R,6R)-2-(6-(4-acetoxy-3-methylbutylamino)-7H-purin-7-yl)-6-(acetoxymethyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
SpectraBase Compound ID BHDw8x4XnLy
InChI InChI=1S/C26H35N5O11/c1-13(9-37-14(2)32)7-8-27-24-20-25(29-11-28-24)30-12-31(20)26-23(41-18(6)36)22(40-17(5)35)21(39-16(4)34)19(42-26)10-38-15(3)33/h11-13,19,21-23,26H,7-10H2,1-6H3,(H,27,28,29)/t13?,19-,21-,22+,23-,26-/m1/s1
InChIKey ZYMDOFGPRWJNIZ-TYVINTPFSA-N
Mol Weight 593.6 g/mol
Molecular Formula C26H35N5O11
Exact Mass 593.233307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ApRexDtwnN2
Name (2R,3R,4S,5R,6R)-2-(6-(4-acetoxy-3-methylbutylamino)-7H-purin-7-yl)-6-(acetoxymethyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H35N5O11
InChI InChI=1S/C26H35N5O11/c1-13(9-37-14(2)32)7-8-27-24-20-25(29-11-28-24)30-12-31(20)26-23(41-18(6)36)22(40-17(5)35)21(39-16(4)34)19(42-26)10-38-15(3)33/h11-13,19,21-23,26H,7-10H2,1-6H3,(H,27,28,29)/t13?,19-,21-,22+,23-,26-/m1/s1
InChIKey ZYMDOFGPRWJNIZ-TYVINTPFSA-N
Literature Reference DOI 10.1002_(SICI)1099-1565(199603)7_2_57
Molecular Weight 593.590 g/mol
SMILES N(c1ncnc2c1[n](cn2)[C@@]1(O[C@](COC(C)=O)([C@@](OC(C)=O)([C@](OC(C)=O)([C@]1(OC(C)=O)[H])[H])[H])[H])[H])CCC(COC(C)=O)C
SPLASH splash10-0007-6900010000-cba7ef3d04e475312c3a
Source of Spectrum PA-7-63-63_21
Synonyms (2R,3R,4S,5R,6R)-2-(6-((4-acetoxy-3-methylbutyl)amino)-7H-purin-7-yl)-6-(acetoxymethyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
Wiley ID 1800156