| 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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 483RMeF8yGe |
|---|---|
| Name | p(1)-(6-Hydroxymethylpterin)-p(2)-(5'-adenosyl)-diphosphate;HP2A |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 602.078825489 u |
| Formula | C17H20N10O11P2 |
| 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 |
| Molecular Weight | 602.354 g/mol |
| Nominal Mass | 602 u |
| SMILES | C1(=O)NC(N)=NC=2N=CC(=NC12)COP(=O)(O)OP(=O)(O)OC[C@@]1([C@@](O)([C@@](O)([C@@](O1)(N1C=NC=2C(N)=NC=NC12)[H])[H])[H])[H] |