![#1A;2-[[[3-CARBOXY-3-[[4-[[(2-AMINO-3,4-DIHYDRO-4-OXOPTERIDIN-6-YL)-METHYL]-AMINO]-BENZOYL]-AMINO]-PROPYL]-HYDROXYPHOSPHINYL]-METHYL]-PENTANE-1,5-DIOIC-ACID-TR](/api/spectrum/KOHgVe6KWtl/structure.png?h=300&w=458 "#1A;2-[[[3-CARBOXY-3-[[4-[[(2-AMINO-3,4-DIHYDRO-4-OXOPTERIDIN-6-YL)-METHYL]-AMINO]-BENZOYL]-AMINO]-PROPYL]-HYDROXYPHOSPHINYL]-METHYL]-PENTANE-1,5-DIOIC-ACID-TR")
| SpectraBase Compound ID | 6nTKZDwV90N |
|---|---|
| InChI | InChI=1S/2C24H28N7O10P.2C12H28N/c2*25-24-30-19-18(21(35)31-24)28-15(10-27-19)9-26-14-4-1-12(2-5-14)20(34)29-16(23(38)39)7-8-42(40,41)11-13(22(36)37)3-6-17(32)33;2*1-5-9-13(10-6-2,11-7-3)12-8-4/h2*1-2,4-5,10,13,16,26H,3,6-9,11H2,(H,29,34)(H,32,33)(H,36,37)(H,38,39)(H,40,41)(H3,25,27,30,31,35);2*5-12H2,1-4H3/q;;2*+1 |
| InChIKey | CUUJCOAUUXKXAJ-UHFFFAOYSA-N |
| Mol Weight | 1583.73 g/mol |
| Molecular Formula | C72H112N16O20P2 |
| Exact Mass | 1582.771404 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KOHgVe6KWtl |
|---|---|
| Name | #1A;2-[[[3-CARBOXY-3-[[4-[[(2-AMINO-3,4-DIHYDRO-4-OXOPTERIDIN-6-YL)-METHYL]-AMINO]-BENZOYL]-AMINO]-PROPYL]-HYDROXYPHOSPHINYL]-METHYL]-PENTANE-1,5-DIOIC-ACID-TR |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C72H110N16O20P2 |
| InChI | InChI=1S/2C24H28N7O10P.2C12H28N/c2*25-24-30-19-18(21(35)31-24)28-15(10-27-19)9-26-14-4-1-12(2-5-14)20(34)29-16(23(38)39)7-8-42(40,41)11-13(22(36)37)3-6-17(32)33;2*1-5-9-13(10-6-2,11-7-3)12-8-4/h2*1-2,4-5,10,13,16,26H,3,6-9,11H2,(H,29,34)(H,32,33)(H,36,37)(H,38,39)(H,40,41)(H3,25,27,30,31,35);2*5-12H2,1-4H3/q;;2*+1 |
| InChIKey | CUUJCOAUUXKXAJ-UHFFFAOYSA-N |
| Literature Reference Author | N.VALIAEVA,D.BARTLEY,T.KONNO,J.K.COWARD |
| Literature Reference Citation | J.ORG.CHEM.,66,5146(2001) |
| Literature Reference DOI | 10.1021/jo010283t |
| Solvent | D2O |
| Source File Reference | UWLU27199 |