![#28;[3'-O-[2-CYANOETHYL-(DIISOPROPYLAMINO)-PHOSPHANYL]-5'-O-(4,4'-DIMETHOXYTRITYL)-2'-O-(2-TRIFLUOROACETAMIDO)-ETHYL-BETA-D-RIBOFURANOSYL]-THYMINE](/api/spectrum/8o5ZfMp2eTE/structure.png?h=300&w=458 "#28;[3'-O-[2-CYANOETHYL-(DIISOPROPYLAMINO)-PHOSPHANYL]-5'-O-(4,4'-DIMETHOXYTRITYL)-2'-O-(2-TRIFLUOROACETAMIDO)-ETHYL-BETA-D-RIBOFURANOSYL]-THYMINE")
| SpectraBase Compound ID | EXjtoPbz3BN |
|---|---|
| InChI | InChI=1S/C44H53F3N5O10P/c1-28(2)52(29(3)4)63(60-24-11-22-48)62-37-36(61-40(51-26-30(5)39(53)50-42(51)55)38(37)58-25-23-49-41(54)44(45,46)47)27-59-43(31-12-9-8-10-13-31,32-14-18-34(56-6)19-15-32)33-16-20-35(57-7)21-17-33/h8-10,12-21,26,28-29,36-38,40H,11,23-25,27H2,1-7H3,(H,49,54)(H,50,53,55)/t36-,37-,38-,40-,63?/m0/s1 |
| InChIKey | KYHISSPNOZNEDF-ZJWKGNPWSA-N |
| Mol Weight | 899.9 g/mol |
| Molecular Formula | C44H53F3N5O10P |
| Exact Mass | 899.348214 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8o5ZfMp2eTE |
|---|---|
| Name | #28;[3'-O-[2-CYANOETHYL-(DIISOPROPYLAMINO)-PHOSPHANYL]-5'-O-(4,4'-DIMETHOXYTRITYL)-2'-O-(2-TRIFLUOROACETAMIDO)-ETHYL-BETA-D-RIBOFURANOSYL]-THYMINE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H53F3N5O10P |
| InChI | InChI=1S/C44H53F3N5O10P/c1-28(2)52(29(3)4)63(60-24-11-22-48)62-37-36(61-40(51-26-30(5)39(53)50-42(51)55)38(37)58-25-23-49-41(54)44(45,46)47)27-59-43(31-12-9-8-10-13-31,32-14-18-34(56-6)19-15-32)33-16-20-35(57-7)21-17-33/h8-10,12-21,26,28-29,36-38,40H,11,23-25,27H2,1-7H3,(H,49,54)(H,50,53,55)/t36-,37-,38-,40-,63?/m0/s1 |
| InChIKey | KYHISSPNOZNEDF-ZJWKGNPWSA-N |
| Literature Reference Author | S.BUCHINI,C.J.LEUMANN |
| Literature Reference Citation | EUR.J.ORG.CHEM.,3152(2006) |
| Molecular Weight | 899.901 g/mol |
| Sample ID | 44139 |
| Solvent | CDCl3 |