| SpectraBase Spectrum ID |
iiE4jj0eFg |
| Name |
(2R,3R,4R,5R)-2-(6-(3-Acetoxybenzylamino)-9H-purin-9-yl)-5-(acetoxymethyl)tetrahydrofuran-3,4-diyl diacetate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
541.180877460 u |
| Formula |
C25H27N5O9 |
| InChI |
InChI=1S/C25H27N5O9/c1-13(31)35-10-19-21(37-15(3)33)22(38-16(4)34)25(39-19)30-12-29-20-23(27-11-28-24(20)30)26-9-17-6-5-7-18(8-17)36-14(2)32/h5-8,11-12,19,21-22,25H,9-10H2,1-4H3,(H,26,27,28)/t19-,21-,22-,25-/m1/s1 |
| InChIKey |
MFNFGDKLIYZNSZ-PTGPVQHPSA-N |
| Molecular Weight |
541.517 g/mol |
| SMILES |
C1(=NC=NC2=C1N=CN2[C@@]1(O[C@](COC(C)=O)([C@@](OC(C)=O)([C@]1(OC(C)=O)[H])[H])[H])[H])NCC1=CC=CC(=C1)OC(C)=O |
