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41575-94-4 molecular structure
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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 and InChIs

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

Cite this record

CBID:106062 http://www.chembase.cn/molecule-106062.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
41575-94-4
EC Number
255-446-0
PubChem SID
162092711
PubChem CID
2567

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02198873 external link Add to cart Please log in.
Data Source Data ID
PubChem 2567 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0637  LogD (pH = 7.4) 1.0637 
Log P 1.0637  Molar Refractivity 29.006899 cm3
Polarizability 19.593359 Å3 Polar Surface Area 52.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Vapor Pressure
0.0187 Pa at melting point expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
TP2300000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
R:22-43-46-61-36/37/38 expand Show data source
Safety Statements
S:24/25-26-36/37/39 expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02198873 external link
(cis-Diammine[1,1-cyclobutane-dicarboxylato] platinum)

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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