Back to Search
Molecule
Oxaliplatin
CAS: 61825-94-3 · C8H14N2O4Pt
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 61825-94-3
- Molecular Formula
- C8H14N2O4Pt
- Molecular Mass
- 397.29 g/mol
Identifiers
CAS Registry Number
61825-94-3
SMILES
N[C@@H]1CCCC[C@H]1N.O=C([O-])C(=O)[O-].[Pt+2]
InChI Key
ZROHGHOFXNOHSO-BNTLRKBRSA-L
InChI
InChI=1S/C6H14N2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h5-6H,1-4,7-8H2;(H,3,4)(H,5,6);/q;;+2/p-2/t5-,6-;;/m1../s1
Names and Synonyms
- Oxaliplatin Synonym
- Platinum, [(1R,2R)-1,2-cyclohexanediamine-κN1,κN2][ethanedioato(2-)-κO1,κO2]-, (SP-4-2)- Synonym
- Platinum, (1,2-cyclohexanediamine-N,N′)[ethanedioato(2-)-O,O′]-, [SP-4-2-(1R-trans)]- Synonym
- Platinum, [(1R,2R)-1,2-cyclohexanediamine-κN,κN′][ethanedioato(2-)-κO1,κO2]-, (SP-4-2)- Synonym
- 1,2-Cyclohexanediamine, platinum complex, (1R-trans)- Synonym
- (SP-4-2)-[(1R,2R)-1,2-Cyclohexanediamine-κN1,κN2][ethanedioato(2-)-κO1,κO2]platinum Synonym
- NSC 266046 Synonym
- Oxalatoplatinum Synonym
- Oxalatoplatin Synonym
- l-OHP Synonym
- Oxaliplatin Synonym
- RP 54780 Synonym
- Platinum, (1,2-cyclohexanediamine-κN,κN′)[ethanedioato(2-)-κO1,κO2]-, [SP-4-2-(1R-trans)]- Synonym
- Oxalato[trans-(-)-1,2-cyclohexanediamine]platinum(II) Synonym
- Oxalato(trans-l-1,2-cyclohexanediamine)platinum(II) Synonym
- Eloxatin Synonym
- Dacplat Synonym
- trans-L-Diaminocyclohexane oxalatoplatinum Synonym
- Elplat Synonym
- Lipoxal Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 397.29 g/mol | CAS Common Chemistry |
| 397.288 g/mol | RDKit | |
| 401.326 g/mol | chempirical lib | |
| Canonical SMILES | O=C1[O-][Pt+2]2([O-]C1=O)[NH2]C3CCCCC3[NH2]2 | CAS Common Chemistry |
| InChI | InChI=1S/C6H14N2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h5-6H,1-4,7-8H2;(H,3,4)(H,5,6);/q;;+2/p-2/t5-,6-;;/m1../s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ZROHGHOFXNOHSO-BNTLRKBRSA-L | CAS Common Chemistry |
| Name | Oxaliplatin | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 132.3 Ų | RDKit |
| LogP | -3.3012999999999986 | RDKit |
| -3.3013 | RDKit | |
| Molar Refractivity | 44.43280000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 397.060148028 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 397.29 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H14N2O4Pt.
