Chemical Name: Thiostrepton
Molecular Formula: C72H85N19O18S5
Molecular Weight: 1664.9
InChI Key: NSFFHOGKXHRQEW-BXVAPQLOSA-N
InChI: InChI=1S/C72H85N19O18S5/c1-14-26(3)47-63(105)78-30(7)57(99)75-28(5)56(98)76-31(8)58(100)91-72-19-18-40(66-85-43(22-111-66)59(101)77-29(6)55(97)74-27(4)54(73)96)81-52(72)42-21-112-67(83-42)49(34(11)109-69(107)41-20-37(32(9)92)36-16-17-39(79-47)51(95)50(36)80-41)89-60(102)44-24-113-68(86-44)53(71(13,108)35(12)94)90-62(104)45-23-110-65(84-45)38(15-2)82-64(106)48(33(10)93)88-61(103)46-25-114-70(72)87-46/h15-17,20-22,24-26,30-35,39,45,47-49,51-53,79,92-95,108H,4-6,14,18-19,23H2,1-3,7-13H3,(H2,73,96)(H,74,97)(H,75,99)(H,76,98)(H,77,101)(H,78,105)(H,82,106)(H,88,103)(H,89,102)(H,90,104)(H,91,100)/b38-15-

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:	Warning
FW:	1664.89000
Density:	1.64 g/cm3
CAS:	1393-48-2
Bolling_Point:	N/A
Product_Name:	Thiostrepton
Melting_Point:	N/A
Flash_Point:	N/A
MF:	C72H85N19O18S5

Molecular_Structure:	['1 . Molar refractive index 41937 ', '2 . Molar volume （m3/mol）10116 ', '3 . Parachor （902K）29443 ', '4 . Surface tension : 717 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10 -24cm 3）无可用 ', '7 . Polarizability 16625']
LogP:	4.08640
Refractive_Index:	1.768
FW:	1664.89000
Density:	1.64 g/cm3
Computational_Chemistry:	['1 . XlogP 24 ', '2 . Hydrogen Bond Donor Count 17 ', '3 . Hydrogen Bond Acceptor Count 26 ', '4 . Rotatable Bond Count 12 ', '5 . Isotope Atom Count 999 ', '6 . TPSA 563 ', '7 . Heavy Atom Count 114 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 3880 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 15 ', '13 . Defined Bond Stereocenter Count 1 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
PSA:	701.00000
Exact_Mass:	1663.49000
More_Info:	['1 . Appearance 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 index Unknow ', '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']
MF:	C72H85N19O18S5

Personal_Protective_Equipment:	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
RTECS:	XN6300100
Safety_Statements:	H302
Symbol:	Warning
RIDADR:	NONH for all modes of transport