| SpectraBase Compound ID | 6jIi0orvq2I |
|---|---|
| InChI | InChI=1S/C42H55N8O22P/c1-19-9-47(39(57)43-35(19)53)31-5-23(52)28(69-31)14-63-17-66-25-7-33(49-11-21(3)37(55)45-41(49)59)71-30(25)16-67-73(61,62)72-26-8-34(50-12-22(4)38(56)46-42(50)60)70-29(26)15-64-18-65-24-6-32(68-27(24)13-51)48-10-20(2)36(54)44-40(48)58/h9-12,23-34,51-52H,5-8,13-18H2,1-4H3,(H,61,62)(H,43,53,57)(H,44,54,58)(H,45,55,59)(H,46,56,60)/p-1/t23?,24?,25?,26-,27?,28?,29-,30?,31?,32?,33?,34+/m1/s1 |
| InChIKey | YABGMXWUHHJKLL-IAOUZJAVSA-M |
| Mol Weight | 1053.9 g/mol |
| Molecular Formula | C42H54N8O22P |
| Exact Mass | 1053.309027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Yf3yYtdS5Z |
|---|---|
| Name | 5'-O-(3'-O-Thymidinylmethyl)-3'-O-thymidinyl 3'-O-(5'-O-thymidinylmethyl)-5'-O-thymidinyl phosphate anion |
| Comments | AMMONIUM SALT |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C42H54N8O22P |
| InChI | InChI=1S/C42H55N8O22P/c1-19-9-47(39(57)43-35(19)53)31-5-23(52)28(69-31)14-63-17-66-25-7-33(49-11-21(3)37(55)45-41(49)59)71-30(25)16-67-73(61,62)72-26-8-34(50-12-22(4)38(56)46-42(50)60)70-29(26)15-64-18-65-24-6-32(68-27(24)13-51)48-10-20(2)36(54)44-40(48)58/h9-12,23-34,51-52H,5-8,13-18H2,1-4H3,(H,61,62)(H,43,53,57)(H,44,54,58)(H,45,55,59)(H,46,56,60)/p-1/t23?,24?,25?,26-,27?,28?,29-,30?,31?,32?,33?,34+/m1/s1 |
| InChIKey | YABGMXWUHHJKLL-IAOUZJAVSA-M |
| Instrument Name | Jeol FX-200 |
| Literature Reference | G.H. Veeneman, G.A. Van Der Marel, Tetrahedron 47, 1547 (1991). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | D2O |