For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-[5-Amino-5,6-dideoxy-2,3-O-isopropylidene-6-(p-toluenesulfonyl)-.beta.-D-allofuranosyl]uracil
SpectraBase Compound ID ARi6ppvNhU5
InChI InChI=1S/C20H25N3O7S/c1-11-4-6-12(7-5-11)31(26,27)10-13(21)15-16-17(30-20(2,3)29-16)18(28-15)23-9-8-14(24)22-19(23)25/h4-9,13,15-18H,10,21H2,1-3H3,(H,22,24,25)/t13-,15-,16-,17-,18-/m1/s1
InChIKey NIPDEEBTWAVIQU-JVNHZCFISA-N
Mol Weight 451.49 g/mol
Molecular Formula C20H25N3O7S
Exact Mass 451.141321 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID B7wid8rEFSJ
Name 1-[5-Amino-5,6-dideoxy-2,3-O-isopropylidene-6-(p-toluenesulfonyl)-.beta.-D-allofuranosyl]uracil
Alternate Name(s) 1-[(3aR,4R,6R,6aR)-6-[(1S)-1-amino-2-[(4-methylbenzene)sulfonyl]ethyl]-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25N3O7S
InChI InChI=1S/C20H25N3O7S/c1-11-4-6-12(7-5-11)31(26,27)10-13(21)15-16-17(30-20(2,3)29-16)18(28-15)23-9-8-14(24)22-19(23)25/h4-9,13,15-18H,10,21H2,1-3H3,(H,22,24,25)/t13-,15-,16-,17-,18-/m1/s1
InChIKey NIPDEEBTWAVIQU-JVNHZCFISA-N
Molecular Weight 451.494 g/mol
SMILES N[C@@]([C@@]1([C@@]2([C@]([C@](N3C(NC(C=C3)=O)=O)(O1)[H])(OC(O2)(C)C)[H])[H])[H])(CS(c1ccc(cc1)C)(=O)=O)[H]
SPLASH splash10-0002-0910000000-b2acdfd83360634ad422
Source of Spectrum I-69-2110-11
Wiley ID 1387924