Chemical Name: Bacitracin
Molecular Formula: C66H103N17O16S
Molecular Weight: 1422.7
InChI Key: CLKOFPXJLQSYAH-YBVXDRQKSA-N
InChI: InChI=1S/C66H103N17O16S/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88)/t35-,36+,37-,40-,41-,42+,43+,44-,45-,46-,47-,48+,52-,53-,54-/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

Product_Name:	Bacitracin
Flash_Point:	1015.5±34.3 °C
Melting_Point:	221-225°C
FW:	1422.693
Density:	1.4±0.1 g/cm3
CAS:	1405-87-4
Bolling_Point:	1755.5±65.0 °C at 760 mmHg
MF:	C66H103N17O16S

Molecular_Structure:	['1. Molar refractive index 365 ', '2. Molar volume 9944 ', '3. Parachor （902K）27617 ', '4. Surface tension 594 ', '5. Dielectric constant N/A ', '6. Polarizability 1447 ', '7. Single isotope mass 142174894 Da ', '8. Nominal mass 1421 Da ', '9. Average mass 14226933 Da']
Flash_Point:	1015.5±34.3 °C
Refractive_Index:	1.655
FW:	1422.693
Density:	1.4±0.1 g/cm3
Bolling_Point:	1755.5±65.0 °C at 760 mmHg
Melting_Point:	221-225°C
Computational_Chemistry:	['1 . Hydrogen Bond Donor Count 16 ', '2 . Hydrogen Bond Acceptor Count 21 ', '3 . Rotatable Bond Count 31 ', '4 . Isotope Atom Count 1001 ', '5 . TPSA 527 ', '6 . Heavy Atom Count 101 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 2950 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 16 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 2']
LogP:	-2.21
Water_Solubility:	可溶
PSA:	556.17000
MF:	C66H103N17O16S
More_Info:	['1 . Appearance 灰White to 浅Yellow 粉末。无臭。味极苦。有吸湿性 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）221-225 ', '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 易Soluble in Water ，Soluble in Ethanol 甲醇and 冰乙酸，几乎Insoluble in 丙酮氯仿and Ethyl ether 。在酸性溶液中稳定，在pH9以上的碱性溶液中不稳定。']
Vapor_Pressure:	0.0±0.3 mmHg at 25°C
Exact_Mass:	1421.748901

Personal_Protective_Equipment:	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard_Codes:	Xn
Risk_Statements(EU):	20/21/22
RTECS:	CP0175000
RIDADR:	2811
HS_Code:	2941909000
WGK_Germany:	2
Safety_Statements:	22-24/25-45-36