platinum(2+) ion (1R,2R)-cyclohexane-1,2-diamine oxalate

• ChemBase ID: 70491
• Molecular Formular: C8H14N2O4Pt
• Molecular Mass: 397.28576
• Monoisotopic Mass: 397.06014794
• SMILES: C1CC[C@H]([C@@H](C1)N)N.[Pt+2].[O-]C(=O)C(=O)[O-]
• Canonical SMILES: [O-]C(=O)C(=O)[O-].N[C@@H]1CCCC[C@H]1N.[Pt+2]
• 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
• InChIKey: ZROHGHOFXNOHSO-BNTLRKBRSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: platinum(2+) ion (1R,2R)-cyclohexane-1,2-diamine oxalate
• IUPAC Traditional name: platinum(2+) ion (1R,2R)-cyclohexane-1,2-diamine oxalate
• Synonyms: Oxaliplatin

Database IDs

• CAS Number: 61825-94-3
• PubChem SID: 162036207
• PubChem CID: 9887054

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.8559394
• LogD (pH = 7.4): -2.7383268
• Log P: -0.007973737
• Molar Refractivity: 33.952 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%