3-{3-[3,4-Dihydroxy-5-(6-oxo-1,6-dihydro-9H-purin-9-yl)tetrahydro-2-furanyl]propanoyl}benzoic acid
7927
Reference
3-{3-[3,4-Dihydroxy-5-(6-oxo-1,6-dihydro-9H-purin-9-yl)tetrahydro-2-furanyl]propanoyl}benzoic acid Structure
Systematic / IUPAC Name: 3-{3-[3,4-Dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]propanoyl}benzoic acid
ID: Reference7927
Other Names: 9H-Purin-6-ol, 9-[1-(3-carboxyphenyl)-2,3-dideoxyheptodialdo-7,4-furanosyl]-
Formula: C19H18N4O7
Spectral Data
3-{3-[3,4-Dihydroxy-5-(6-oxo-1,6-dihydro-9H-purin-9-yl)tetrahydro-2-furanyl]propanoyl}benzoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP FAIMS |
| No. of Spectral Trees | 1 |
| No. of Spectra | 162 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/11/2018 11:06:06 AM |
Identificators
| InChI | InChI=1S/C19H18N4O7/c24-11(9-2-1-3-10(6-9)19(28)29)4-5-12-14(25)15(26)18(30-12)23-8-22-13-16(23)20-7-21-17(13)27/h1-3,6-8,12,14-15,18,25-26H,4-5H2,(H,28,29)(H,20,21,27) |
| InChI Key | VEDWXCWBMDQNCV-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC(=CC(=C1)C(=O)O)C(=O)CCC2C(C(C(O2)N3C=NC4=C3NC=NC4=O)O)O |
| CAS | |
| Splash | |
| Other Names | 9H-Purin-6-ol, 9-[1-(3-carboxyphenyl)-2,3-dideoxyheptodialdo-7,4-furanosyl]- |