78188-38-2
2',3'-O-(1-METHYLETHYLIDENE)-N-(PHENYLMETHYL)ADENOSINE
Name2',3'-O-(1-METHYLETHYLIDENE)-N-(PHENYLMETHYL)ADENOSINE
1Identification
【Name】
2',3'-O-(1-METHYLETHYLIDENE)-N-(PHENYLMETHYL)ADENOSINE
【CAS】
【MDL】
MFCD12031598
【English Synonyms】
【Formula】
C20 H23 N5 O4
【MolWeight】
397.433
【Inchi】
InChI=1S/C20H23N5O4/c1-20(2)28-15-13(9-26)27-19(16(15)29-20)25-11-24-14-17(22-10-23-18(14)25)21-8-12-6-4-3-5-7-12/h3-7,10-11,13,15-16,19,26H,8-9H2,1-2H3,(H,21,22,23)/t13-,15-,16-,19-/m1/s1
【InChIKey】
InChIKey=JNQFYSBBKJODPY-NVQRDWNXSA-N
【SMILES】
CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3cnc4c3ncnc4NCc5ccccc5)CO)C
【MOL File】
2',3'-O-(1-METHYLETH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2',3'-O-(1-METHYLETHYLIDENE)-N-(PHENYLMETHYL)ADENOSINE.cml