Stereochemistry | ABSOLUTE |
Molecular Formula | C31H36FN4O9 |
Molecular Weight | 627.6373 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Charge | 1 |
SHOW SMILES / InChI
SMILES
COC1=C(OCCC[N+]2(CCCC2)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C4N=CN=C(OC5=C(F)C6=C(NC(C)=C6)C=C5)C4=C1
InChI
InChIKey=JVJSFWHTACVQLH-NEOPOEGOSA-O
InChI=1S/C31H35FN4O9/c1-16-12-17-19(35-16)6-7-21(24(17)32)44-29-18-13-22(42-2)23(14-20(18)33-15-34-29)43-11-5-10-36(8-3-4-9-36)30-27(39)25(37)26(38)28(45-30)31(40)41/h6-7,12-15,25-28,30,35,37-39H,3-5,8-11H2,1-2H3/p+1/t25-,26-,27+,28-,30+/m0/s1
Molecular Formula | C31H36FN4O9 |
Molecular Weight | 627.6373 |
Charge | 0 |
Count |
MOL RATIO
1 MOL RATIO (average) |
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |