Stereochemistry | ABSOLUTE |
Molecular Formula | C22H27O8P.2Na |
Molecular Weight | 496.3983 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 7 / 7 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)COP([O-])([O-])=O
InChI
InChIKey=YVJZLSSQXHCEPB-GVDLCTMXSA-L
InChI=1S/C22H29O8P.2Na/c1-12-8-16-15-5-4-13-9-14(23)6-7-20(13,2)19(15)17(24)10-21(16,3)22(12,26)18(25)11-30-31(27,28)29;;/h6-7,9,12,15-16,19,26H,4-5,8,10-11H2,1-3H3,(H2,27,28,29);;/q;2*+1/p-2/t12-,15-,16-,19+,20-,21-,22-;;/m0../s1
Molecular Formula | C22H27O8P |
Molecular Weight | 450.4187 |
Charge | -2 |
Count |
MOL RATIO
1 MOL RATIO (average) |
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 7 / 7 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | Na |
Molecular Weight | 22.98976928 |
Charge | 1 |
Count |
MOL RATIO
2 MOL RATIO (average) |
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |