| Stereochemistry | ABSOLUTE |
| Molecular Formula | C14H13N3O4S2.C7H17NO5.H2O |
| Molecular Weight | 564.63 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CN1C(C(=O)NC2=NC=C(C)S2)=C(O)C3=C(C=CC=C3)S1(=O)=O
InChI
InChIKey=SDOHSQSLGJYQKT-BMWGJIJESA-N
InChI=1S/C14H13N3O4S2.C7H17NO5.H2O/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2;1-8-2-4(10)6(12)7(13)5(11)3-9;/h3-7,18H,1-2H3,(H,15,16,19);4-13H,2-3H2,1H3;1H2/t;4-,5+,6+,7+;/m.0./s1
| Molecular Formula | C7H17NO5 |
| Molecular Weight | 195.2136 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C14H13N3O4S2 |
| Molecular Weight | 351.401 |
| 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 | 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 |
