Chemical Name: Pirarubicin
Molecular Formula: C32H37NO12
Molecular Weight: 627.6
InChI Key: KMSKQZKKOZQFFG-YXRRJAAWSA-N
InChI: InChI=1S/C32H37NO12/c1-14-31(45-21-8-3-4-9-42-21)17(33)10-22(43-14)44-19-12-32(40,20(35)13-34)11-16-24(19)30(39)26-25(28(16)37)27(36)15-6-5-7-18(41-2)23(15)29(26)38/h5-7,14,17,19,21-22,31,34,37,39-40H,3-4,8-13,33H2,1-2H3/t14-,17-,19-,21+,22-,31+,32-/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

Melting_Point:	188-192ºC (dec.)
CAS:	72496-41-4
MF:	C32H37NO12
Flash_Point:	458.6±34.3 °C
Product_Name:	Pirarubicin
Density:	1.5±0.1 g/cm3
FW:	627.636
Bolling_Point:	834.7±65.0 °C at 760 mmHg

Refractive_Index:	1.671
Vapor_Pressure:	0.0±3.2 mmHg at 25°C
Flash_Point:	458.6±34.3 °C
LogP:	3.85
Bolling_Point:	834.7±65.0 °C at 760 mmHg
PSA:	204.30000
Molecular_Structure:	['1 . Molar refractive index 15455 ', '2 . Molar volume （m3/mol）4133 ', '3 . Parachor （902K）12474 ', '4 . Surface tension 829 ', '5 . Polarizability 6127']
Computational_Chemistry:	['1 . XlogP 27 ', '2 . Hydrogen Bond Donor Count 5 ', '3 . Hydrogen Bond Acceptor Count 13 ', '4 . Rotatable Bond Count 7 ', '5 . TPSA 204 ', '6 . Heavy Atom Count 45 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 1120 ', '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']
Melting_Point:	188-192ºC (dec.)
MF:	C32H37NO12
Exact_Mass:	627.231567
FW:	627.636
Density:	1.5±0.1 g/cm3
More_Info:	['1 . Appearance Solid 。 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）188-192 ', '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 and 甲醇，微Soluble in Ethanol 氯仿，Insoluble in 正己烷and Ethyl ether 。']