| SpectraBase Spectrum ID |
2lzkdOrtRwM |
| Name |
1-(6-Amino-9H-purin-8-yl)-1,4-anhydro-2,3-O-(1-methylethylidene)pentitol |
| CAS Registry Number |
86040-32-6 |
| Comments |
Less than 3 mono-isotopic peaks; Note: The molecular formula of the structure shown is C13H17N5O4 - which differs from the formula reported for the mass spectrum (C30H34N2O4) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H34N2O4 |
| InChI |
InChI=1S/C13H17N5O4/c1-13(2)21-7-5(3-19)20-9(8(7)22-13)12-17-6-10(14)15-4-16-11(6)18-12/h4-5,7-9,19H,3H2,1-2H3,(H3,14,15,16,17,18) |
| InChIKey |
ZUKQTOCEDZEKDM-UHFFFAOYSA-N |
| Molecular Weight |
307.310 g/mol |
| SMILES |
OCC1C2C(C(c3nc4c(c(ncn4)N)[nH]3)O1)OC(O2)(C)C |
| SPLASH |
splash10-000i-0000900000-2972f5c789d17f5f5940 |
| Source of Spectrum |
I-61-320-3 |
| Synonyms |
8-(2,3(O-Isopropylidene)-.beta.-d-ribofuranosyl)adenine
[4-(6-amino-7H-purin-8-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
[4-(6-azanyl-7H-purin-8-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol |
| Wiley ID |
1396547 |
