Oxaliplatin | SBID = 975 | Compound |
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | 82.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 6.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 2.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C8H12N2O4Pt | ||
| M / g/mol: | 395.3 | ||
| Complexity: | 191.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags: typical guest, charged, drug
- Name: Oxaliplatin
- Preferred Abbreviation: Oxaliplatin
- IUPAC Name: [(1R,2R)-2-azanidylcyclohexyl]azanide;oxalate;platinum(4+)
- CAS: 61825-94-3
- CID: 43805
- InChiKey: DWAFYCQODLXJNR-BNTLRKBRSA-L
- InChi: InChI=1S/C6H12N2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h5-8H,1-4H2;(H,3,4)(H,5,6);/q-2;;+4/p-2/t5-,6-;;/m1../s1
- CanoSmiles: C1CCC(C(C1)[NH-])[NH-].C(=O)(C(=O)[O-])[O-].[Pt+4]
- IsoSmiles: C1CC[C@H]([C@@H](C1)[NH-])[NH-].C(=O)(C(=O)[O-])[O-].[Pt+4]
