| SpectraBase Compound ID | EP8cLmEs5V3 |
|---|---|
| InChI | InChI=1S/C17H20N10O11P2/c18-12-8-14(22-4-21-12)27(5-23-8)16-11(29)10(28)7(37-16)3-36-40(33,34)38-39(31,32)35-2-6-1-20-13-9(24-6)15(30)26-17(19)25-13/h1,4-5,7,10-11,16,28-29H,2-3H2,(H,31,32)(H,33,34)(H2,18,21,22)(H3,19,20,25,26,30)/t7-,10-,11-,16-/m1/s1 |
| InChIKey | XBNGLNCHZMEECI-SUGPNEFASA-N |
| Mol Weight | 602.35 g/mol |
| Molecular Formula | C17H20N10O11P2 |
| Exact Mass | 602.078825 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4784Ak52CW9 |
|---|---|
| Name | P(1)-(6-HYDROXYMETHYLPTERIN)-P(2)-(5'-ADENOSYL)-DIPHOSPHATE;HP2A |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H18N10O11P2 |
| InChI | InChI=1S/C17H20N10O11P2/c18-12-8-14(22-4-21-12)27(5-23-8)16-11(29)10(28)7(37-16)3-36-40(33,34)38-39(31,32)35-2-6-1-20-13-9(24-6)15(30)26-17(19)25-13/h1,4-5,7,10-11,16,28-29H,2-3H2,(H,31,32)(H,33,34)(H2,18,21,22)(H3,19,20,25,26,30)/t7-,10-,11-,16-/m1/s1 |
| InChIKey | XBNGLNCHZMEECI-SUGPNEFASA-N |
| Literature Reference Author | G.SHI,J.BLASZCZYK,X.JI,H.YAN |
| Literature Reference Citation | J.MED.CHEM.,44,1364(2001) |
| Literature Reference DOI | 10.1021/jm0004493 |
| Solvent | Unknown |
| Source File Reference | UWSI44493 |