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6-CHLORO-9-(beta-D-GLUCOPYRANOSYL)-9H-PURINE, TETRAACETATE
SpectraBase Compound ID JLVz87mMFiF
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)24-7-23-13-17(20)21-6-22-18(13)24/h6-7,12,14-16,19H,5H2,1-4H3/t12-,14-,15+,16-,19-/m1/s1
InChIKey VTFZMAOAYQJBTO-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 HKBeVWrcIjC
Name 9H-Purine, 6-chloro-9-(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)-
Alternate Name(s) 9H-Purine, 6-chloro-9-.beta.-D-glucopyranosyl-, 2',3',4',6'-tetraacetate 6-Chloro-9-(tetra-O-acetyl-.beta.-D-glucopyranosyl)purine 9H-purine, 6-chloro-9-.beta.-D-glucopyranosyl-, tetraacetate [(2R,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-(6-chloro-9H-purin-9-yl)oxan-2-yl]methyl acetate
CAS Registry Number 3624-38-2
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)24-7-23-13-17(20)21-6-22-18(13)24/h6-7,12,14-16,19H,5H2,1-4H3/t12-,14-,15+,16-,19-/m1/s1
InChIKey VTFZMAOAYQJBTO-IIRRGFMQSA-N
Molecular Weight 484.849 g/mol
SMILES [C@@]1([n]2c3c(c(Cl)ncn3)nc2)([C@@]([C@@](OC(=O)C)([C@@]([C@](O1)(COC(=O)C)[H])(OC(=O)C)[H])[H])(OC(=O)C)[H])[H]
SPLASH splash10-0aor-2900000000-742242a2917d77dc833d
Source of Spectrum B-31-1106-0
Wiley ID 1395917