This chemical is called Deuteroferriheme, and its systematic name is Iron(3+) dihydrogen chloride 3,3'-(3,7,12,17-tetramethylporphine-21,24-diide-2,18-diyl)dipropanoate. With the molecular formula of C30H28ClFeN4O4, its molecular weight is 599.87. The CAS registry number of the chemical is 21007-21-6.
Other characteristics of Deuteroferriheme can be summarised as followings: (1)ACD/LogP: 5.97; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 8; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 131.96 Å2; (7)Flash Point: 630.5 °C; (8)Enthalpy of Vaporization: 172.49 kJ/mol; (9)Boiling Point: 1119 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
1.SMILES: [H+].[H+].[Fe+3].[Cl-].[O-]C(=O)CCc1c(c5[n-]c1cc2[n-]c(c(c2CCC([O-])=O)C)cc\3nc(/C(=C/3)C)cc\4nc(/C(=C/4)C)c5)C
2.InChI: InChI=1/C30H30N4O4.ClH.Fe/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20;;/h9-14H,5-8H2,1-4H3,(H4,31,32,33,34,35,36,37,38);1H;/q;;+3/p-3/b19-11-,20-12-,23-11-,24-13-,25-12-,26-13-,27-14-,28-14-;;
3.InChIKey: MITFTGOXJCCKJD-NITVGGSXBN
4.Std. InChI: InChI=1S/C30H30N4O4.ClH.Fe/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20;;/h9-14H,5-8H2,1-4H3,(H4,31,32,33,34,35,36,37,38);1H;/q;;+3/p-3/b19-11-,20-12-,23-11-,24-13-,25-12-,26-13-,27-14-,28-14-;;
5.Std. InChIKey: MITFTGOXJCCKJD-YEGLKJMZSA-K
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View