| SpectraBase Compound ID | F4Bq0N5wjiN |
|---|---|
| InChI | InChI=1S/C17H23N5O5/c1-16(2)23-5-8(25-16)10-11-12(27-17(3,4)26-11)15(24-10)22-7-21-9-13(18)19-6-20-14(9)22/h6-8,10-12,15H,5H2,1-4H3,(H2,18,19,20)/t8-,10+,11-,12-,15-/m1/s1 |
| InChIKey | ZERSKHLHHAQVLT-UGEBGDRKSA-N |
| Mol Weight | 377.4 g/mol |
| Molecular Formula | C17H23N5O5 |
| Exact Mass | 377.169919 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B3rM4rrvMH9 |
|---|---|
| Name | 9-(2,3:5,6-Di-O-isopropylidene-.beta.,D-gulofuranosyl)adenine |
| Alternate Name(s) | 9-[(3aR,4R,6S,6aR)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]-9H-purin-6-amine 9-[(3aR,4R,6S,6aR)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-purinamine 9-[(3aR,4R,6S,6aR)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-amine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H23N5O5 |
| InChI | InChI=1S/C17H23N5O5/c1-16(2)23-5-8(25-16)10-11-12(27-17(3,4)26-11)15(24-10)22-7-21-9-13(18)19-6-20-14(9)22/h6-8,10-12,15H,5H2,1-4H3,(H2,18,19,20)/t8-,10+,11-,12-,15-/m1/s1 |
| InChIKey | ZERSKHLHHAQVLT-UGEBGDRKSA-N |
| Molecular Weight | 377.401 g/mol |
| SMILES | Nc1c2c([n]([C@]3([C@]4([C@](OC(O4)(C)C)([C@@](O3)([C@@]3(OC(C)(C)OC3)[H])[H])[H])[H])[H])cn2)ncn1 |
| SPLASH | splash10-03xr-0749000000-f8f535ace70a7b87dc1e |
| Source of Spectrum | E1-40-1616-26 |
| Wiley ID | 1599278 |