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calcium;3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate

Catalog No: FT-0707381

CAS No: 305808-23-5

Chemical Name: calcium;3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate
Molecular Formula: C18H32CaN2O10
Molecular Weight: 476.5
InChI Key: FAPWYRCQGJNNSJ-UHFFFAOYSA-L
InChI: InChI=1S/2C9H17NO5.Ca/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;+2/p-2

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:	551.5ºC at 760mmHg
CAS:	305808-23-5
MF:	C18H32CaN2O10
Density:	N/A
Melting_Point:	N/A
Product_Name:	pantothenic acid, calcium salt monohydrate
Flash_Point:	287.3ºC
FW:	476.53200

MF:	C18H32CaN2O10
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :6 ', '3. Hydrogen Bond Acceptor Count :10 ', '4. Rotatable Bond Count :10 ', '5. Isotope Atom Count :3 ', '6. TPSA 219 ', '7. Heavy Atom Count :31 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :233 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :2 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :3']
More_Info:	['1 . Appearance Solid ', '2 . Density（g/mL, ,25℃）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 20mmHg）Unknow ', '7 . Refractive index（n20/D）Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa, 20ºC）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:	476.16800
Bolling_Point:	551.5ºC at 760mmHg
Flash_Point:	287.3ºC
FW:	476.53200
PSA:	219.38000