1335210-24-6
(3S,11aR)-6-methoxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-d]pyrido[1,2-a]pyrazine-8-carboxylic acid
Name(3S,11aR)-6-methoxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-d]pyrido[1,2-a]pyrazine-8-carboxylic acid
1Identification
【Name】
(3S,11aR)-6-methoxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-d]pyrido[1,2-a]pyrazine-8-carboxylic acid
【CAS】
【MDL】
【English Synonyms】
【Formula】
C13H14N2O6
【MolWeight】
294.2601
【Inchi】
InChI=1S/C13H14N2O6/c1-6-5-21-8-4-14-3-7(13(18)19)10(16)11(20-2)9(14)12(17)15(6)8/h3,6,8H,4-5H2,1-2H3,(H,18,19)/t6-,8+/m0/s1
【InChIKey】
InChIKey=HOMFUTHISIHOLS-POYBYMJQSA-N
【SMILES】
COC=1C(C(=CN2C1C(N1[C@@H](C2)OC[C@@H]1C)=O)C(=O)O)=O
【MOL File】
(3S,11aR)-6-methoxy-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
(3S,11aR)-6-methoxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-d]pyrido[1,2-a]pyrazine-8-carboxylic acid.cml