6,8-dioxa-7-platinaspiro[3.5]nonane-5,9-dione

• ChemBase ID: 106062
• Molecular Formular: C6H6O4Pt
• Molecular Mass: 337.18744
• Monoisotopic Mass: 336.99139967
• SMILES: O=C1O[Pt]OC(=O)C21CCC2
• Canonical SMILES: O=C1O[Pt]OC(=O)C21CCC2
• InChI: InChI=1S/C6H8O4.Pt/c7-4(8)6(5(9)10)2-1-3-6;/h1-3H2,(H,7,8)(H,9,10);/q;+2/p-2
• InChIKey: ZSWVADAIGMSQBB-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,8-dioxa-7-platinaspiro[3.5]nonane-5,9-dione
• IUPAC Traditional name: 6,8-dioxa-7-platinaspiro[3.5]nonane-5,9-dione
• Synonyms: cis-Diammine[1,1-cyclobutane-dicarboxylato] platinum; CARBOPLATIN

Database IDs

• CAS Number: 41575-94-4
• EC Number: 255-446-0
• PubChem SID: 162092711
• PubChem CID: 2567

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0637
• LogD (pH = 7.4): 1.0637
• Log P: 1.0637
• Molar Refractivity: 29.006899 cm^3
• Polarizability: 19.593359 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Vapor Pressure: 0.0187 Pa at melting point

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: TP2300000
• European Hazard Symbols: Harmful (Xn)
• Risk Statements: R:22-43-46-61-36/37/38
• Safety Statements: S:24/25-26-36/37/39

DETAILS

MP Biomedicals - 02198873

(cis-Diammine[1,1-cyclobutane-dicarboxylato] platinum)