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5-Amino-1-[(2',3',5'-tris-.beta.-D-ribosyl)carbamoyl]-1H-1,2,4-triazole

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5-Amino-1-[(2',3',5'-tris<benzoyloxy>-.beta.-D-ribosyl)carbamoyl]-1H-1,2,4-triazole
SpectraBase Compound ID FcDjMefAcOs
InChI InChI=1S/C29H25N5O8/c30-28-31-17-32-34(28)29(38)33-24-23(42-27(37)20-14-8-3-9-15-20)22(41-26(36)19-12-6-2-7-13-19)21(40-24)16-39-25(35)18-10-4-1-5-11-18/h1-15,17,21-24H,16H2,(H,33,38)(H2,30,31,32)
InChIKey TVHNDISXBOSAJP-UHFFFAOYSA-N
Mol Weight 571.55 g/mol
Molecular Formula C29H25N5O8
Exact Mass 571.170313 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9DSFAL1mh9b
Name 5-Amino-1-[(2',3',5'-tris-.beta.-D-ribosyl)carbamoyl]-1H-1,2,4-triazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 571.170312777 u
Formula C29H25N5O8
InChI InChI=1S/C29H25N5O8/c30-28-31-17-32-34(28)29(38)33-24-23(42-27(37)20-14-8-3-9-15-20)22(41-26(36)19-12-6-2-7-13-19)21(40-24)16-39-25(35)18-10-4-1-5-11-18/h1-15,17,21-24H,16H2,(H,33,38)(H2,30,31,32)
InChIKey TVHNDISXBOSAJP-UHFFFAOYSA-N
Molecular Weight 571.546 g/mol
SMILES C(N1C(=NC=N1)N)(NC1C(C(OC(=O)C2=CC=CC=C2)C(O1)COC(=O)C=1C=CC=CC1)OC(=O)C=1C=CC=CC1)=O