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7H-Purine, 6-chloro-7-(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)-
SpectraBase Compound ID FFeUdwyWMPs
InChI InChI=1S/C19H21ClN4O9/c1-8(25)29-5-12-14(30-9(2)26)15(31-10(3)27)16(32-11(4)28)19(33-12)24-7-23-18-13(24)17(20)21-6-22-18/h6-7,12,14-16,19H,5H2,1-4H3/t12-,14-,15+,16-,19-/m1/s1
InChIKey PPEPBYBRXBEKCB-IIRRGFMQSA-N
Mol Weight 484.85 g/mol
Molecular Formula C19H21ClN4O9
Exact Mass 484.099706 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dto3Ze6rYQ7
Name 7H-Purine, 6-chloro-7-(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)-
Alternate Name(s) 6-Chloro-7-(tetra-O-acetyl-.beta.-D-glucopyranosyl)purine [(2R,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-(6-chloro-7H-purin-7-yl)oxan-2-yl]methyl acetate
CAS Registry Number 66981-35-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21ClN4O9
InChI InChI=1S/C19H21ClN4O9/c1-8(25)29-5-12-14(30-9(2)26)15(31-10(3)27)16(32-11(4)28)19(33-12)24-7-23-18-13(24)17(20)21-6-22-18/h6-7,12,14-16,19H,5H2,1-4H3/t12-,14-,15+,16-,19-/m1/s1
InChIKey PPEPBYBRXBEKCB-IIRRGFMQSA-N
Molecular Weight 484.849 g/mol
SMILES [C@@]1([n]2c3c(ncnc3Cl)nc2)([C@@]([C@@](OC(=O)C)([C@@]([C@](O1)(COC(=O)C)[H])(OC(=O)C)[H])[H])(OC(=O)C)[H])[H]
SPLASH splash10-066r-0901000000-05138db29653e4c0f30f
Source of Spectrum B-31-1111-0
Wiley ID 1395919