![#1B;2-[[[3-CARBOXY-3-[[4-[[(2,4-DIAMINO-6-PTERIDINYL)-METHYL]-METHYLAMINO]-BENZOYL]-AMINO]-PROPYL]-HYDROXYPHOSPHINYL]-METHYL]-PENTANE-1,5-DIOIC-ACID-TETRA-(TRI](/api/spectrum/2EvMPa8CJCN/structure.png?h=300&w=458 "#1B;2-[[[3-CARBOXY-3-[[4-[[(2,4-DIAMINO-6-PTERIDINYL)-METHYL]-METHYLAMINO]-BENZOYL]-AMINO]-PROPYL]-HYDROXYPHOSPHINYL]-METHYL]-PENTANE-1,5-DIOIC-ACID-TETRA-(TRI")
| SpectraBase Compound ID | Jstz9wLQtEF |
|---|---|
| InChI | InChI=1S/2C25H31N8O9P.2C12H28N/c2*1-33(11-15-10-28-21-19(29-15)20(26)31-25(27)32-21)16-5-2-13(3-6-16)22(36)30-17(24(39)40)8-9-43(41,42)12-14(23(37)38)4-7-18(34)35;2*1-5-9-13(10-6-2,11-7-3)12-8-4/h2*2-3,5-6,10,14,17H,4,7-9,11-12H2,1H3,(H,30,36)(H,34,35)(H,37,38)(H,39,40)(H,41,42)(H4,26,27,28,31,32);2*5-12H2,1-4H3/q;;2*+1 |
| InChIKey | MIBVLEQXHGPMBM-UHFFFAOYSA-N |
| Mol Weight | 1609.81 g/mol |
| Molecular Formula | C74H118N18O18P2 |
| Exact Mass | 1608.834673 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2EvMPa8CJCN |
|---|---|
| Name | #1B;2-[[[3-CARBOXY-3-[[4-[[(2,4-DIAMINO-6-PTERIDINYL)-METHYL]-METHYLAMINO]-BENZOYL]-AMINO]-PROPYL]-HYDROXYPHOSPHINYL]-METHYL]-PENTANE-1,5-DIOIC-ACID-TETRA-(TRI |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C74H116N18O18P2 |
| InChI | InChI=1S/2C25H31N8O9P.2C12H28N/c2*1-33(11-15-10-28-21-19(29-15)20(26)31-25(27)32-21)16-5-2-13(3-6-16)22(36)30-17(24(39)40)8-9-43(41,42)12-14(23(37)38)4-7-18(34)35;2*1-5-9-13(10-6-2,11-7-3)12-8-4/h2*2-3,5-6,10,14,17H,4,7-9,11-12H2,1H3,(H,30,36)(H,34,35)(H,37,38)(H,39,40)(H,41,42)(H4,26,27,28,31,32);2*5-12H2,1-4H3/q;;2*+1 |
| InChIKey | MIBVLEQXHGPMBM-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 |
| Molecular Weight | 1607.792 g/mol |
| Solvent | D2O |
| Source File Reference | UWLU27201 |