| SpectraBase Compound ID | 8eFJ6uYMHeR |
|---|---|
| InChI | InChI=1S/C29H35Cl2N10O9P/c30-10-13-40(14-11-31)51(48,49-17-21-8-9-23(50-21)41(46)47)35-12-2-1-3-22(28(44)45)37-26(42)18-4-6-19(7-5-18)33-15-20-16-34-25-24(36-20)27(43)39-29(32)38-25/h4-9,16,22,33H,1-3,10-15,17H2,(H,35,48)(H,37,42)(H,44,45)(H3,32,34,38,39,43) |
| InChIKey | BDKGHEJNDGNCIT-UHFFFAOYSA-N |
| Mol Weight | 769.5 g/mol |
| Molecular Formula | C29H35Cl2N10O9P |
| Exact Mass | 768.170315 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 17DdK4OVsCN |
|---|---|
| Name | (5-NITRO-2-FURYL)-METHYL-N(EPSILON)-(PTEROYL-LYSYL)-N,N-BIS-(2-CHLOROETHYL)-PHOSPHORODIAMIDATE |
| Compound Number | 1 B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H35Cl2N10O9P |
| InChI | InChI=1S/C29H35Cl2N10O9P/c30-10-13-40(14-11-31)51(48,49-17-21-8-9-23(50-21)41(46)47)35-12-2-1-3-22(28(44)45)37-26(42)18-4-6-19(7-5-18)33-15-20-16-34-25-24(36-20)27(43)39-29(32)38-25/h4-9,16,22,33H,1-3,10-15,17H2,(H,35,48)(H,37,42)(H,44,45)(H3,32,34,38,39,43) |
| InChIKey | BDKGHEJNDGNCIT-UHFFFAOYSA-N |
| Literature Reference Author | G.STEINBERG,R.F.BORCH |
| Literature Reference Citation | J.MED.CHEM.,44,69(2001) |
| Literature Reference DOI | 10.1021/jm000306g |
| Solvent | DMSO-D6 |
| Source File Reference | UWSI43929 |