![[(2S)-3-(6-AMINO-9H-PURIN-9-YL)-2-(PHOSPHONOOXY)-PROPYL]-ALPHA-D-XYLOPYRANOSIDE-3,4-BISPHOSPHATE-HEXASODIUM-SALT](/api/spectrum/K7Fv3e4go1Z/structure.png?h=300&w=458 "[(2S)-3-(6-AMINO-9H-PURIN-9-YL)-2-(PHOSPHONOOXY)-PROPYL]-ALPHA-D-XYLOPYRANOSIDE-3,4-BISPHOSPHATE-HEXASODIUM-SALT")
| SpectraBase Compound ID | DYiuf6gWYCT |
|---|---|
| InChI | InChI=1S/C13H22N5O15P3.6Na/c14-11-8-12(16-4-15-11)18(5-17-8)1-6(31-34(20,21)22)2-29-13-9(19)10(33-36(26,27)28)7(3-30-13)32-35(23,24)25;;;;;;/h4-7,9-10,13,19H,1-3H2,(H2,14,15,16)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28);;;;;;/q;6*+1/p-6/t6-,7-,9-,10+,13+;;;;;;/m1....../s1 |
| InChIKey | HCLLZIXNCFSCDW-RQNQPFSKSA-H |
| Mol Weight | 713.15090169 g/mol |
| Molecular Formula | C13H16N5Na6O15P3 |
| Exact Mass | 712.924191 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | K7Fv3e4go1Z |
|---|---|
| Name | [(2S)-3-(6-AMINO-9H-PURIN-9-YL)-2-(PHOSPHONOOXY)-PROPYL]-ALPHA-D-XYLOPYRANOSIDE-3,4-BISPHOSPHATE-HEXASODIUM-SALT |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C13H16N5Na6O15P3 |
| InChI | InChI=1S/C13H22N5O15P3.6Na/c14-11-8-12(16-4-15-11)18(5-17-8)1-6(31-34(20,21)22)2-29-13-9(19)10(33-36(26,27)28)7(3-30-13)32-35(23,24)25;;;;;;/h4-7,9-10,13,19H,1-3H2,(H2,14,15,16)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28);;;;;;/q;6*+1/p-6/t6-,7-,9-,10+,13+;;;;;;/m1....../s1 |
| InChIKey | HCLLZIXNCFSCDW-RQNQPFSKSA-H |
| Literature Reference Author | F.ROUSSEL,N.MOITESSIER,M.HILLY,F.CHRETIEN,J.P.MAUGER,Y.CHAPL EUR |
| Literature Reference Citation | BIOORG.MED.CHEM.,10,759(2002) |
| Literature Reference DOI | 10.1016/S0968-0896(01)00329-7 |
| Molecular Weight | 713.154 g/mol |
| Solvent | D2O |
| Source File Reference | UWLU30960 |