| SpectraBase Compound ID | FSnclvSvzCX |
|---|---|
| InChI | InChI=1S/C21H28N10O12P2/c22-16-10-18(26-3-24-16)30(5-28-10)20-14(34)12(32)8(42-20)1-40-44(36,37)7-45(38,39)41-2-9-13(33)15(35)21(43-9)31-6-29-11-17(23)25-4-27-19(11)31/h3-6,8-9,12-15,20-21,32-35H,1-2,7H2,(H,36,37)(H,38,39)(H2,22,24,26)(H2,23,25,27)/t8-,9-,12-,13-,14-,15-,20-,21-/m1/s1 |
| InChIKey | SSHCWFVEJDZLIT-NAGRZYTCSA-N |
| Mol Weight | 674.46 g/mol |
| Molecular Formula | C21H28N10O12P2 |
| Exact Mass | 674.13634 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | oe5XROHvBo |
|---|---|
| Name | BIS(ADENOSIN-5'-YLOXYPHOSPHORYL)METHANE |
| Comments | , PH=6. SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C21H28N10O12P2 |
| InChI | InChI=1S/C21H28N10O12P2/c22-16-10-18(26-3-24-16)30(5-28-10)20-14(34)12(32)8(42-20)1-40-44(36,37)7-45(38,39)41-2-9-13(33)15(35)21(43-9)31-6-29-11-17(23)25-4-27-19(11)31/h3-6,8-9,12-15,20-21,32-35H,1-2,7H2,(H,36,37)(H,38,39)(H2,22,24,26)(H2,23,25,27)/t8-,9-,12-,13-,14-,15-,20-,21-/m1/s1 |
| InChIKey | SSHCWFVEJDZLIT-NAGRZYTCSA-N |
| Instrument Name | Bruker HX-90 |
| Literature Reference | A.V.LEBEDEV, A.I.REZVUKHIN (REVIEW) (1983) Bioorganich.Khim.(Russ. Lang.): v.9,N2, 149-185. |
| NMR Standard | -H3PO4 85% |
| Observed nucleus | 31P |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | H2O water |