IUPAC Name :(4S,4aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
InChI :InChI=1/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/t7?,8?,15-,21-,22-/m0/s1
Std.InChI: InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/t7?,8?,15-,21-,22-/m0/s1
InChIKey :CYDMQBQPVICBEU-JQUJOMIUBT
Std.InChIKey: CYDMQBQPVICBEU-JQUJOMIUSA-N
SMILES :C[C@]1(c2c(ccc(c2C(=O)C3=C([C@]4(C(CC31)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)Cl)O
MDL: MFCD00864876
Molar Refractivity :111.53 ± 0.5 cm3 (est)
Parachor :807.2 ± 8.0 cm3 (est)
Index of Refraction :1.743 ± 0.05
(est)
Surface Tension :73.6 ± 7.0 dyne/cm (est)
Density :1.73 ± 0.1 g/cm3 (est)
Polarizability :44.21 ± 0.5 10-24cm3 (est)