Chemical Name: Alamethicin
Molecular Formula: C92H150N22O25
Molecular Weight: 1964.3
InChI Key: LGHSQOCGTJHDIL-SLKIUSOBSA-N
InChI: InChI=1S/C92H150N22O25/c1-47(2)43-58(72(127)108-92(24,25)84(139)113-41-29-33-59(113)73(128)103-65(48(3)4)75(130)111-90(20,21)82(137)112-89(18,19)80(135)102-56(37-40-64(120)121)70(125)101-55(35-38-61(93)117)69(124)98-54(46-115)44-53-31-27-26-28-32-53)99-63(119)45-95-77(132)85(10,11)110-76(131)66(49(5)6)104-81(136)88(16,17)107-71(126)57(36-39-62(94)118)100-67(122)50(7)96-78(133)86(12,13)106-68(123)51(8)97-79(134)87(14,15)109-74(129)60-34-30-42-114(60)83(138)91(22,23)105-52(9)116/h26-28,31-32,47-51,54-60,65-66,115H,29-30,33-46H2,1-25H3,(H2,93,117)(H2,94,118)(H,95,132)(H,96,133)(H,97,134)(H,98,124)(H,99,119)(H,100,122)(H,101,125)(H,102,135)(H,103,128)(H,104,136)(H,105,116)(H,106,123)(H,107,126)(H,108,127)(H,109,129)(H,110,131)(H,111,130)(H,112,137)(H,120,121)/t50-,51-,54+,55-,56-,57-,58-,59-,60-,65-,66-/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

Symbol:	Danger
FW:	1964.31000
Density:	N/A
CAS:	27061-78-5
Bolling_Point:	N/A
Product_Name:	Alamethicin
Melting_Point:	255-270ºC
Flash_Point:	87 °C
MF:	C92H150N22O25

Computational_Chemistry:	['1 . XlogP -26 ', '2 . Hydrogen Bond Donor Count 19 ', '3 . Hydrogen Bond Acceptor Count 22 ', '4 . Rotatable Bond Count 13 ', '5 . Isotope Atom Count 1001 ', '6 . TPSA 630 ', '7 重原子数119 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 3890 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 10 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
LogP:	3.96740
FW:	1964.31000
Melting_Point:	255-270ºC
PSA:	708.13000
MF:	C92H150N22O25
More_Info:	['1 . Appearance Unknow ', '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 Unknow']
Exact_Mass:	1963.11000

Personal_Protective_Equipment:	Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
Flash_Point_(C):	87 °C
Risk_Statements(EU):	R25
Safety_Statements:	H301
Symbol:	Danger
Flash_Point_(F):	188.6 °F
RIDADR:	UN 3462 6
Warning_Statement:	P301 + P310