251647-49-1
N-BENZOYL-5'-O-DMTR-2'-O-(2-METHOXYETHYL)-CYTIDINE
NameN-BENZOYL-5'-O-DMTR-2'-O-(2-METHOXYETHYL)-CYTIDINE
1Identification
【Name】
N-BENZOYL-5'-O-DMTR-2'-O-(2-METHOXYETHYL)-CYTIDINE
【CAS】
【MDL】
MFCD17215638
【English Synonyms】
【Formula】
C40 H41 N3 O9
【MolWeight】
707.776
【Inchi】
InChI=1S/C40H41N3O9/c1-47-24-25-50-36-35(44)33(52-38(36)43-23-22-34(42-39(43)46)41-37(45)27-10-6-4-7-11-27)26-51-40(28-12-8-5-9-13-28,29-14-18-31(48-2)19-15-29)30-16-20-32(49-3)21-17-30/h4-23,33,35-36,38,44H,24-26H2,1-3H3,(H,41,42,45,46)/t33-,35-,36-,38-/m1/s1
【InChIKey】
InChIKey=PRAZQDMVAGLVKR-XHOUGWTJSA-N
【SMILES】
COCCO[C@@H]1[C@@H]([C@H](O[C@H]1n2ccc(nc2=O)NC(=O)c3ccccc3)COC(c4ccccc4)(c5ccc(cc5)OC)c6ccc(cc6)OC)O
【MOL File】
N-BENZOYL-5'-O-DMTR-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:12
XLogP3:5.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
N-BENZOYL-5'-O-DMTR-2'-O-(2-METHOXYETHYL)-CYTIDINE.cml