588691-24-1
2'-O-METHYL-5'-O-DMT-5-IODOURIDINE
Name2'-O-METHYL-5'-O-DMT-5-IODOURIDINE
1Identification
【Name】
2'-O-METHYL-5'-O-DMT-5-IODOURIDINE
【CAS】
【MDL】
MFCD01631070
【English Synonyms】
【Formula】
C31 H31 I N2 O8
【MolWeight】
686.492
【Inchi】
InChI=1S/C31H31IN2O8/c1-38-22-13-9-20(10-14-22)31(19-7-5-4-6-8-19,21-11-15-23(39-2)16-12-21)41-18-25-26(35)27(40-3)29(42-25)34-17-24(32)28(36)33-30(34)37/h4-17,25-27,29,35H,18H2,1-3H3,(H,33,36,37)/t25-,26-,27-,29-/m1/s1
【InChIKey】
InChIKey=VYNNFLLSYDWMCJ-LTGLEFCMSA-N
【SMILES】
COc1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)OC)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cc(c(=O)[nH]c5=O)I)OC)O
【MOL File】
2'-O-METHYL-5'-O-DMT….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:10
XLogP3:5.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2'-O-METHYL-5'-O-DMT-5-IODOURIDINE.cml