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2H-Purin-2-one, 6-amino-1,9-dihydro-1-methyl-9-[2,3,5-tris-O-(phenylmethyl)-.beta.-D-arabinofuranosyl]-
SpectraBase Compound ID HeuXnuVNGsJ
InChI InChI=1S/C32H33N5O5/c1-36-29(33)26-30(35-32(36)38)37(21-34-26)31-28(41-19-24-15-9-4-10-16-24)27(40-18-23-13-7-3-8-14-23)25(42-31)20-39-17-22-11-5-2-6-12-22/h2-16,21,25,27-28,31H,17-20,33H2,1H3/t25-,27-,28+,31-/m1/s1
InChIKey BTWPWNFJOYNSBR-IIHCQYLKSA-N
Mol Weight 567.6 g/mol
Molecular Formula C32H33N5O5
Exact Mass 567.248169 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JTzQBG0T0tB
Name 2H-Purin-2-one, 6-amino-1,9-dihydro-1-methyl-9-[2,3,5-tris-O-(phenylmethyl)-.beta.-D-arabinofuranosyl]-
CAS Registry Number 77856-32-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H33N5O5
InChI InChI=1S/C32H33N5O5/c1-36-29(33)26-30(35-32(36)38)37(21-34-26)31-28(41-19-24-15-9-4-10-16-24)27(40-18-23-13-7-3-8-14-23)25(42-31)20-39-17-22-11-5-2-6-12-22/h2-16,21,25,27-28,31H,17-20,33H2,1H3/t25-,27-,28+,31-/m1/s1
InChIKey BTWPWNFJOYNSBR-IIHCQYLKSA-N
Molecular Weight 567.646 g/mol
SMILES NC1=C2C(N([C@]3([C@]([C@](OCc4ccccc4)([C@](O3)(COCc3ccccc3)[H])[H])(OCc3ccccc3)[H])[H])C=N2)=NC(N1C)=O
SPLASH splash10-0006-9300000000-890d10f25af488487631
Source of Spectrum KC-1985-1320-8
Synonyms 1(n)-methyl-9-(2',3',5'-tri-O-benzyl-.beta.-D-arabinofuranosyl)-isoguanine 6-Amino-9-[(2R,3S,4R,5R)-3,4-bis(benzyloxy)-5-[(benzyloxy)methyl]oxolan-2-yl]-1-methyl-2,9-dihydro-1H-purin-2-one
Wiley ID 1407435