1,3-Dioxane-4,6-dio...

1,3-Dioxane-4,6-dione,5,5-diethyl-2,2-dipropyl- 5408-18-4

1,3-Dioxane-4,6-dione,5,5-diethyl-2,2-dipropyl- 5408-18-4

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1,3-Dioxane-4,6-dione,5,5-diethyl-2,2-dipropyl- 5408-18-4 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

【Name】
1,3-Dioxane-4,6-dione,5,5-diethyl-2,2-dipropyl-
【Iupac name】
[(1S,2R,4S,5R)-2,3,4-trihydroxy-5,6-diphosphonooxycyclohexyl] dihydrogen
phosphate
【CAS Registry number】
5408-18-4
【Synonyms】
Malonicacid, diethyl-, cyclic 1-propylbutylidene ester (8CI)
NSC 10779
【Molecular Formula】
C14H24O4 (Products with the same molecular formula)
【Molecular Weight】
256.338
【Inchi】
InChI=1/C14H24O4/c1-5-9-14(10-6-2)17-11(15)13(7-3,8-4)12(16)18-14/h5-10H2,1-4H3
【Canonical SMILES】
CCCC1(OC(=O)C(C(=O)O1)(CC)CC)CCC
Chemical and Physical Properties
【Density】
0.979g/cm3
【Boiling Point】
403.1°Cat760mmHg
【Refractive Index】
1.435
【Flash Point】
200.7°C
【Computed Properties】
Molecular Weight:256.33796 [g/mol]
Molecular Formula:C14H24O4
XLogP3-AA:4
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:6
Exact Mass:256.167459
MonoIsotopic Mass:256.167459
Topological Polar Surface Area:52.6
Heavy Atom Count:18
Formal Charge:0
Complexity:290
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Hydrophobe Count:4
Feature 3D Ring Count:1
Effective Rotor Count:6.8
Conformer Sampling RMSD:0.8
CID Conformer Count:12

 

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