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[1-(2,3-diphenylphenyl)-2,2-bis(2,4,6-trimethylphenyl)ethenyl] phosphate structure
[1-(2,3-diphenylphenyl)-2,2-bis(2,4,6-trimethylphenyl)ethenyl] phosphate structure

[1-(2,3-diphenylphenyl)-2,2-bis(2,4,6-trimethylphenyl)ethenyl] phosphate

Iupac Name:sodium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CAS No.:527-07-1
Molecular Weight:218.14
1. Names and Identifiers
1.1 Name
[1-(2,3-diphenylphenyl)-2,2-bis(2,4,6-trimethylphenyl)ethenyl] phosphate
1.2 CAS No.
527-07-1
1.3 CID
23672301
1.4 Molecular Formula
C17H38P2 (isomer)
1.5 Inchi
InChI=1S/C6H12O7.Na/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);/q;+1/p-1/t2-,3-,4+,5-;/m1./s1
1.6 InChkey
UPMFZISCCZSDND-JJKGCWMISA-M
1.7 Canonical Smiles
C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[Na+]
1.8 Isomers Smiles
C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.[Na+]
2. 3D Conformer
3. Properties
3.1 Melting Point
206 °C (dec.)(lit.)
3.2 Vapour
4.95E-21mmHg at 25°C
4. Safety and Handling
4.1 Safety Statements
24/25
4.2 Transport
50kgs
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:218.14g/mol
  • Molecular Formula:C17H38P2
  • Compound Is Canonicalized:True
  • Exact Mass:218.04
  • Monoisotopic Mass:218.04
  • Complexity:176
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:141A^2
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:4
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADccBgOCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAIACAAAAgAI AACQCAIAAAAAAAAAAAFAAAABEBYAAAAAQAAFIAABAAHKbARAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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