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9H-Purin-6-amine, 9-[2-chloro-2-deoxy-5-O-(2,2-dimethyl-1-oxopropyl)-3-O-methyl-.beta.- D-arabinofuranosyl]-
SpectraBase Compound ID 9hN6DosNRKz
InChI InChI=1S/C16H22ClN5O4/c1-16(2,3)15(23)25-5-8-11(24-4)9(17)14(26-8)22-7-21-10-12(18)19-6-20-13(10)22/h6-9,11,14H,5H2,1-4H3,(H2,18,19,20)/t8-,9+,11-,14-/m1/s1
InChIKey PLQUVMUVXSIHQT-SZRLZVLASA-N
Mol Weight 383.84 g/mol
Molecular Formula C16H22ClN5O4
Exact Mass 383.136032 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5fHvGU7D5sy
Name 9H-Purin-6-amine, 9-[2-chloro-2-deoxy-5-O-(2,2-dimethyl-1-oxopropyl)-3-O-methyl-.beta.- D-arabinofuranosyl]-
CAS Registry Number 70147-56-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22ClN5O4
InChI InChI=1S/C16H22ClN5O4/c1-16(2,3)15(23)25-5-8-11(24-4)9(17)14(26-8)22-7-21-10-12(18)19-6-20-13(10)22/h6-9,11,14H,5H2,1-4H3,(H2,18,19,20)/t8-,9+,11-,14-/m1/s1
InChIKey PLQUVMUVXSIHQT-SZRLZVLASA-N
Molecular Weight 383.836 g/mol
SMILES Nc1c2c([n]([C@]3([C@]([C@](OC)([C@](O3)(COC(C(C)(C)C)=O)[H])[H])(Cl)[H])[H])cn2)ncn1
SPLASH splash10-000i-0920000000-cd4388fc993667baa479
Source of Spectrum I-57-280-0
Synonyms 9-(2-Chloro-2-deoxy-3-O-methyl-5-O-pivalyl-.beta.-D-arabinofuranosyl)-adenine [(2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-4-chloro-3-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate
Wiley ID 1360980