| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C21H22N2O2.C3H9O6P |
| Molecular Weight | 840.8969 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 12 / 12 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OCC(CO)OP(O)(O)=O.O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1C7=CC=CC=C67.O=C8C[C@@H]9OCC=C%10CN%11CC[C@@]%12%13[C@@H]%11C[C@@H]%10[C@@H]9[C@@H]%12N8C%14=CC=CC=C%13%14
InChI
InChIKey=NJGJYCFIUNPJMV-ZNUXJMJHSA-N
InChI=1S/2C21H22N2O2.C3H9O6P/c2*24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;4-1-3(2-5)9-10(6,7)8/h2*1-5,13,16-17,19-20H,6-11H2;3-5H,1-2H2,(H2,6,7,8)/t2*13-,16-,17-,19-,20-,21+;/m00./s1
| Molecular Formula | C21H22N2O2 |
| Molecular Weight | 334.4116 |
| Charge | 0 |
| Count |
MOL RATIO
2 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C3H9O6P |
| Molecular Weight | 172.0737 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |