(2R,3S,4R,5S)-6-nitrohexane-1,2,3,4,5-pentol

Catalog No: FT-0770603

CAS No: 20971-06-6

Chemical Name: (2R,3S,4R,5S)-6-nitrohexane-1,2,3,4,5-pentol
Molecular Formula: C6H13NO7
Molecular Weight: 211.17
InChI Key: HOFCJTOUEGMYBT-KCDKBNATSA-N
InChI: InChI=1S/C6H13NO7/c8-2-4(10)6(12)5(11)3(9)1-7(13)14/h3-6,8-12H,1-2H2/t3-,4+,5+,6-/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

Bolling_Point:	608.3ºC at 760 mmHg
Vapor_Pressure:	2.45E-17mmHg at 25°C
Computational_Chemistry:	['1 . XlogP -31 ', '2 . Hydrogen Bond Donor Count 5 ', '3 . Hydrogen Bond Acceptor Count 7 ', '4 . Rotatable Bond Count 5 ', '5 . TPSA 144 ', '6 . Heavy Atom Count 14 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 182 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 4 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
Melting_Point:	142ºC
Exact_Mass:	211.06900
MF:	C6H13NO7
Density:	1.632 g/cm3
FW:	211.17000
PSA:	146.97000
Flash_Point:	268.9ºC
Molecular_Structure:	['1 . Molar refractive index 4337 ', '2 . Molar volume （m3/mol）1293 ', '3 . Parachor （902K）4025 ', '4 . Surface tension 937 ', '5 . Polarizability 1719']
Refractive_Index:	1.585