| SpectraBase Compound ID | 8P5KTXauoSQ |
|---|---|
| InChI | InChI=1S/C78H60O24P6S12/c79-103(80,81)97-49-1-13-55(14-2-49)109-61-25-37-67(38-26-61)115-73-74(116-68-39-27-62(28-40-68)110-56-15-3-50(4-16-56)98-104(82,83)84)76(118-70-43-31-64(32-44-70)112-58-19-7-52(8-20-58)100-106(88,89)90)78(120-72-47-35-66(36-48-72)114-60-23-11-54(12-24-60)102-108(94,95)96)77(119-71-45-33-65(34-46-71)113-59-21-9-53(10-22-59)101-107(91,92)93)75(73)117-69-41-29-63(30-42-69)111-57-17-5-51(6-18-57)99-105(85,86)87/h1-48H,(H2,79,80,81)(H2,82,83,84)(H2,85,86,87)(H2,88,89,90)(H2,91,92,93)(H2,94,95,96) |
| InChIKey | JNYIQORZCHAAJP-UHFFFAOYSA-N |
| Mol Weight | 1951.9 g/mol |
| Molecular Formula | C78H60O24P6S12 |
| Exact Mass | 1949.854879 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4z6uy8GFhU9 |
|---|---|
| Name | PPS-2-OPO3H2 |
| Compound Number | A-2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C78H48O24P6S12 |
| InChI | InChI=1S/C78H60O24P6S12/c79-103(80,81)97-49-1-13-55(14-2-49)109-61-25-37-67(38-26-61)115-73-74(116-68-39-27-62(28-40-68)110-56-15-3-50(4-16-56)98-104(82,83)84)76(118-70-43-31-64(32-44-70)112-58-19-7-52(8-20-58)100-106(88,89)90)78(120-72-47-35-66(36-48-72)114-60-23-11-54(12-24-60)102-108(94,95)96)77(119-71-45-33-65(34-46-71)113-59-21-9-53(10-22-59)101-107(91,92)93)75(73)117-69-41-29-63(30-42-69)111-57-17-5-51(6-18-57)99-105(85,86)87/h1-48H,(H2,79,80,81)(H2,82,83,84)(H2,85,86,87)(H2,88,89,90)(H2,91,92,93)(H2,94,95,96) |
| InChIKey | JNYIQORZCHAAJP-UHFFFAOYSA-N |
| Literature Reference Author | F.M.MENGER,V.A.AZOV |
| Literature Reference Citation | J.AM.CHEM.SOC.,124,11159(2002) |
| Literature Reference DOI | 10.1021/ja0206238 |
| Solvent | DMSO-D6 |
| Source File Reference | UWSI34911 |