| SpectraBase Compound ID | JmFHW1hzLu2 |
|---|---|
| InChI | InChI=1S/C24H31N4O14P/c1-11-7-27(23(33)25-21(11)31)19-5-15(39-13(3)29)17(41-19)9-37-43(35,36)38-10-18-16(40-14(4)30)6-20(42-18)28-8-12(2)22(32)26-24(28)34/h7-8,15-20H,5-6,9-10H2,1-4H3,(H,35,36)(H,25,31,33)(H,26,32,34)/t15-,16-,17+,18+,19+,20+/m0/s1 |
| InChIKey | VCKZIRHTDXPZRZ-VTYCOLDWSA-N |
| Mol Weight | 630.5 g/mol |
| Molecular Formula | C24H31N4O14P |
| Exact Mass | 630.157439 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5aLoafZWzGi |
|---|---|
| Name | bis(3'-o-Acetyldeoxythymid-5'-yl)phosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 630.157438678 u |
| Formula | C24H31N4O14P |
| InChI | InChI=1S/C24H31N4O14P/c1-11-7-27(23(33)25-21(11)31)19-5-15(39-13(3)29)17(41-19)9-37-43(35,36)38-10-18-16(40-14(4)30)6-20(42-18)28-8-12(2)22(32)26-24(28)34/h7-8,15-20H,5-6,9-10H2,1-4H3,(H,35,36)(H,25,31,33)(H,26,32,34)/t15-,16-,17+,18+,19+,20+/m0/s1 |
| InChIKey | VCKZIRHTDXPZRZ-VTYCOLDWSA-N |
| Molecular Weight | 630.500 g/mol |
| SMILES | OP(OC[C@]1(O[C@@](N2C(NC(C(=C2)C)=O)=O)(C[C@@]1(OC(C)=O)[H])[H])[H])(=O)OC[C@@]1([C@](C[C@@](O1)(N1C=C(C)C(NC1=O)=O)[H])(OC(C)=O)[H])[H] |