| Stereochemistry | ABSOLUTE |
| Molecular Formula | C10H12N2O3.H2O.H2O4S |
| Molecular Weight | 324.308 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.OS(O)(=O)=O.N[C@@H](CC(=O)C1=CC=CC=C1N)C(O)=O
InChI
InChIKey=SHULPFGDFMGUFP-JZGIKJSDSA-N
InChI=1S/C10H12N2O3.H2O4S.H2O/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15;1-5(2,3)4;/h1-4,8H,5,11-12H2,(H,14,15);(H2,1,2,3,4);1H2/t8-;;/m0../s1
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| 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 |
| Molecular Formula | C10H12N2O3 |
| Molecular Weight | 208.2139 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | H2O4S |
| Molecular Weight | 98.078 |
| 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 |
