191474-13-2
5'-O-(4,4'-DIMETHOXYTRITYL)-2,3'-ANHYDROTHYMIDINE
Name5'-O-(4,4'-DIMETHOXYTRITYL)-2,3'-ANHYDROTHYMIDINE
1Identification
【Name】
5'-O-(4,4'-DIMETHOXYTRITYL)-2,3'-ANHYDROTHYMIDINE
【CAS】
【MDL】
MFCD02683972
【English Synonyms】
2,5-METHANO-5H,9H-PYRIMIDO[2,1-B][1,5,3]DIOXAZEPIN-9-ONE, 3-[4,4'-DIMETHOXTRITYL]-2,3-DIHYDRO-8-METHYL-, (2R,3R,5R)-
【Formula】
C31 H30 N2 O6
【MolWeight】
526.586
【Inchi】
InChI=1S/C31H30N2O6/c1-20-18-33-28-17-26(39-30(33)32-29(20)34)27(38-28)19-37-31(21-7-5-4-6-8-21,22-9-13-24(35-2)14-10-22)23-11-15-25(36-3)16-12-23/h4-16,18,26-28H,17,19H2,1-3H3/t26-,27+,28+/m0/s1
【InChIKey】
InChIKey=SWDIHODJLJEUEJ-UPRLRBBYSA-N
【SMILES】
Cc1cn2c(nc1=O)O[C@H]3C[C@H]2O[C@@H]3COC(c4ccccc4)(c5ccc(cc5)OC)c6ccc(cc6)OC
【MOL File】
5'-O-(4,4'-DIMETHOXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5'-O-(4,4'-DIMETHOXYTRITYL)-2,3'-ANHYDROTHYMIDINE.cml