5964-41-0
5-O-TRIPHENYLMETHYL-2-DEOXY-2,3-DIDEHYROTHYMIDINE
Name5-O-TRIPHENYLMETHYL-2-DEOXY-2,3-DIDEHYROTHYMIDINE
1Identification
【Name】
5-O-TRIPHENYLMETHYL-2-DEOXY-2,3-DIDEHYROTHYMIDINE
【CAS】
【MDL】
MFCD07369687
【English Synonyms】
【Formula】
C29 H26 N2 O4
【MolWeight】
466.534
【Inchi】
InChI=1S/C29H26N2O4/c1-21-19-31(28(33)30-27(21)32)26-18-17-25(35-26)20-34-29(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-19,25-26H,20H2,1H3,(H,30,32,33)/t25-,26+/m0/s1
【InChIKey】
InChIKey=MIAKIEAKHPFXJJ-IZZNHLLZSA-N
【SMILES】
Cc1cn(c(=O)[nH]c1=O)[C@H]2C=C[C@H](O2)COC(c3ccccc3)(c4ccccc4)c5ccccc5
【MOL File】
5-O-TRIPHENYLMETHYL-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
5-O-TRIPHENYLMETHYL-2-DEOXY-2,3-DIDEHYROTHYMIDINE.cml