N-Acetyl-2-chloro-2-deoxyneuraminic Acid Methyl Ester 4,7,8,9-Tetraacetate

Catalog No: FT-0661159

CAS No: 67670-69-3

Chemical Name: N-Acetyl-2-chloro-2-deoxyneuraminic Acid Methyl Ester 4,7,8,9-Tetraacetate
Molecular Formula: C20H28ClNO12
Molecular Weight: 509.9
InChI Key: QGJGGAMXXWIKJR-DCDDNHAVSA-N
InChI: InChI=1S/C20H28ClNO12/c1-9(23)22-16-14(31-11(3)25)7-20(21,19(28)29-6)34-18(16)17(33-13(5)27)15(32-12(4)26)8-30-10(2)24/h14-18H,7-8H2,1-6H3,(H,22,23)/t14-,15+,16+,17+,18+,20-/m0/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

Product_Name:	N-Acetyl-2-chloro-2-deoxy-β-neuraminic Acid Methyl Ester 4,7,8,9-Tetraacetate
Flash_Point:	305.9ºC
Melting_Point:	N/A
FW:	509.88900
Density:	1.34g/cm3
CAS:	67670-69-3
Bolling_Point:	582.1ºC at 760 mmHg
MF:	C20H28ClNO12

Molecular_Structure:	['1 . Molar refractive index 11213 ', '2 . Molar volume （m3/mol）3784 ', '3 . Parachor （902K）10080 ', '4 . Surface tension 503 ', '5 . Polarizability 4445']
LogP:	0.13720
Flash_Point:	305.9ºC
Refractive_Index:	1.504
FW:	509.88900
Density:	1.34g/cm3
Bolling_Point:	582.1ºC at 760 mmHg
Computational_Chemistry:	['1 . XlogP ', '2 . Hydrogen Bond Donor Count ', '3 . Hydrogen Bond Acceptor Count ', '4 . Rotatable Bond Count ', '5 . TPSA ', '6 . Heavy Atom Count ', '7 . Topological Polar Surface Area ', '8 . Complexity ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
PSA:	169.83000
Exact_Mass:	509.13000
More_Info:	['1 . Appearance 。 ', '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,25ºC）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 。']
MF:	C20H28ClNO12