Chemical Name: HYDROXOCOBALAMIN HYDROCHLORIDE
Molecular Formula: C62H91ClCoN13O15P+
Molecular Weight: 1383.8
InChI Key: CGILFMTUCMTNCZ-MAQCMGFJSA-L
InChI: InChI=1S/C62H90N13O14P.ClH.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;;/h20-21,23,28,31,34-37,41,52-53,56-57,71,76,84H,12-19,22,24-27H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);1H;;1H2/q;;+3;/p-2/b38-23-,50-32-,55-33-;;;

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:	hydroxocobalamin hydrochloride
Flash_Point:	N/A
Melting_Point:	N/A
FW:	1382.82000
Density:	N/A
CAS:	78091-12-0
Bolling_Point:	N/A
MF:	C62H90ClCoN13O15P

Computational_Chemistry:	['1 . XlogP ', '2 . Hydrogen Bond Donor Count 12 ', '3 . Hydrogen Bond Acceptor Count 20 ', '4 . Rotatable Bond Count 26 ', '5 . TPSA 464 ', '6 . Heavy Atom Count 93 ', '7 . Topological Polar Surface Area 1 ', '8 . Complexity 3140 ', '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']
LogP:	7.51290
FW:	1382.82000
More_Info:	['1 . Appearance 深红色结晶or 者结晶性粉末。 ', '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 Soluble in Water ，微Soluble in Ethanol and 苯。']
PSA:	489.73000
MF:	C62H90ClCoN13O15P
Exact_Mass:	1381.54000