| SpectraBase Compound ID | GkCsvP45zTx |
|---|---|
| InChI | InChI=1S/C11H14N5O4P/c12-10-9-11(14-3-13-10)16(4-15-9)6-1-7-8(2-6)20-21(17,18)5-19-7/h3-4,6-8H,1-2,5H2,(H,17,18)(H2,12,13,14)/t6-,7+,8+/m1/s1 |
| InChIKey | YGVUYFAFKMAPJZ-CSMHCCOUSA-N |
| Mol Weight | 311.24 g/mol |
| Molecular Formula | C11H14N5O4P |
| Exact Mass | 311.078341 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | C18uwAk1Hw4 |
|---|---|
| Name | 9-[(1'.beta.,3'a.alpha.,4'.beta.)-4'-(Dihydroxyphosphorylmethoxy)-3'-hydroxycyclopentyl}adenine 3',4'-cyclic acid ester |
| Alternate Name(s) | 9-[(1'beta,3'aalpha,4'beta)-4'-(Dihydroxyphosphorylmethoxy)-3'-hydroxycyclopentyl}adenine 3',4'-cyclic acid ester 9-[(4aS,6R,7aS)-2-hydroxy-2-oxo-3,4a,5,6,7,7a-hexahydrocyclopenta[e][1,4,2]dioxaphosphorin-6-yl]-6-purinamine 9-[(4aS,6R,7aS)-2-hydroxy-2-oxo-3,4a,5,6,7,7a-hexahydrocyclopenta[e][1,4,2]dioxaphosphinin-6-yl]purin-6-amine 9-[(4aS,6R,7aS)-2-oxidanyl-2-oxidanylidene-3,4a,5,6,7,7a-hexahydrocyclopenta[e][1,4,2]dioxaphosphinin-6-yl]purin-6-amine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H14N5O4P |
| InChI | InChI=1S/C11H14N5O4P/c12-10-9-11(14-3-13-10)16(4-15-9)6-1-7-8(2-6)20-21(17,18)5-19-7/h3-4,6-8H,1-2,5H2,(H,17,18)(H2,12,13,14)/t6-,7+,8+/m1/s1 |
| InChIKey | YGVUYFAFKMAPJZ-CSMHCCOUSA-N |
| Molecular Weight | 311.238 g/mol |
| SMILES | Nc1c2c([n]([C@]3(C[C@@]4(OP(CO[C@]4(C3)[H])(=O)O)[H])[H])cn2)ncn1 |
| SPLASH | splash10-03di-0119000000-ffa91cef1fce6e9a25cc |
| Source of Spectrum | KC-0-3605-7 |
| Wiley ID | 824014 |