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[(2S,6R)-4-benzoyloxy-2-methoxy-5-oxo-2H-pyran-6-yl]methyl benzoate

Catalog No: FT-0772619

CAS No: 25552-06-1

Chemical Name: [(2S,6R)-4-benzoyloxy-2-methoxy-5-oxo-2H-pyran-6-yl]methyl benzoate
Molecular Formula: C21H18O7
Molecular Weight: 382.4
InChI Key: OHULVMOXKLLMJR-MSOLQXFVSA-N
InChI: InChI=1S/C21H18O7/c1-25-18-12-16(28-21(24)15-10-6-3-7-11-15)19(22)17(27-18)13-26-20(23)14-8-4-2-5-9-14/h2-12,17-18H,13H2,1H3/t17-,18+/m1/s1

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Base Information
Chemical Information

Bolling_Point:	N/A
CAS:	25552-06-1
MF:	C21H18O7
Density:	N/A
Melting_Point:	N/A
Product_Name:	[(2S,6R)-4-benzoyloxy-2-methoxy-5-oxo-2H-pyran-6-yl]methyl benzoate
Flash_Point:	N/A
FW:	382.36300

Molecular_Structure:	['1 . Molar refractive index 9804 ', '2 . Molar volume （m3/mol）2880 ', '3 . Parachor （902K）7852 ', '4 . Surface tension 552 ', '5 . Polarizability 3886']
MF:	C21H18O7
LogP:	2.52470
Computational_Chemistry:	['1. XlogP :32 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :7 ', '4. Rotatable Bond Count :8 ', '5. Isotope Atom Count :2 ', '6. TPSA 881 ', '7. Heavy Atom Count :28 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :600 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :2 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kpa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
Exact_Mass:	382.10500
FW:	382.36300
PSA:	88.13000