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Molecule
ID:136411
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₆H₁₅O₄P
Molecular Mass
182.154661
Exact Mass
182.07079559
Charge
0
InChI
InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3
InChIKey
DQWPFSLDHJDLRL-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(OCC)OCC
Isomeric Smiles
CCOP(=O)(OCC)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.1842022
LogD (pH = 7.4)
1.1842022
Log P
1.1842022
Molar Refractivity
42.3446
Polarizability
17.253616
Polar Surface Area
44.76
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
•
Commercial Catalog
•
Academic Data
Names and Identifiers
•
Synonyms
•
IUPAC name
•
IUPAC Traditional name
Registration numbers
•
MDL Number
•
PubChem SID
•
PubChem CID
Properties
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Product Information
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Safety Information
•
Physical Property
Related Proteins
Molecular Spectra
Molecule Details
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Sigma Aldrich
References
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PubChem Literature
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From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Sigma Aldrich
736252
Academic Data
PubChem
71309788
Names and Identifiers
Synonyms
Ethyl-d15 phosphate
Triethyl-d15 phosphate
TEP-d15
IUPAC name
tris(
2
H
5
)ethyl phosphate
IUPAC Traditional name
tris(
2
H
5
)ethyl phosphate
Registration numbers
MDL Number
MFCD08705044
PubChem SID
162230681
PubChem CID
71309788
Properties
Product Information
Isotopic Purity
99 atom % D
Source
Linear Formula
(C2D5O)3PO
Source
Mol. Weight
mol wt 197.10 by atom % calculation
Source
Purity
98% (CP)
Source
Safety Information
GHS Signal Word
Warning
Source
European Hazard Symbols
Harmful (Xn)
Source
Safety Statements
25
Source
MSDS Link
Download link
Source
GHS Hazard statements
H302
Source
German water hazard class
1
Source
GHS Pictograms
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
Source
Risk Statements
22
Source
Physical Property
Density
1.160 g/mL at 25 °C
Source
Boiling Point
215 °C(lit.)
Source
Mass Shift
M+15
Source
Molecule Details
Sigma Aldrich
736252
Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay