80991-41-9
1-(3,5-DI-O-ACETYL-BETA-D-RIBOFURANOSYL)-4-(1,2,4-TRIAZOL-L-YL)-5-METHYLPYRMIDIN-2-ONE
Name1-(3,5-DI-O-ACETYL-BETA-D-RIBOFURANOSYL)-4-(1,2,4-TRIAZOL-L-YL)-5-METHYLPYRMIDIN-2-ONE
1Identification
【Name】
1-(3,5-DI-O-ACETYL-BETA-D-RIBOFURANOSYL)-4-(1,2,4-TRIAZOL-L-YL)-5-METHYLPYRMIDIN-2-ONE
【CAS】
【MDL】
MFCD04973675
【English Synonyms】
【Formula】
C16 H19 N5 O7
【MolWeight】
393.354
【Inchi】
InChI=1S/C16H19N5O7/c1-8-4-20(16(25)19-14(8)21-7-17-6-18-21)15-12(24)13(27-10(3)23)11(28-15)5-26-9(2)22/h4,6-7,11-13,15,24H,5H2,1-3H3/t11-,12-,13-,15-/m1/s1
【InChIKey】
InChIKey=JAXLXBPJGOQATK-RGCMKSIDSA-N
【SMILES】
Cc1cn(c(=O)nc1n2cncn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)O
【MOL File】
1-(3,5-DI-O-ACETYL-B….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:12
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(3,5-DI-O-ACETYL-BETA-D-RIBOFURANOSYL)-4-(1,2,4-TRIAZOL-L-YL)-5-METHYLPYRMIDIN-2-ONE.cml