D-Galactopyranose,6-[bis(2-chloroethyl)amino]-6-deoxy- (105618-02-8)

The Galamustine with cas registry number of 105618-02-8, is also called C6-galactose mustard ;  6-(Bis(2-chloroethyl)amino)-6-deoxy-D-galactopyranose .

Physical properties of Galamustine : (1)ACD/LogP: 0.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.18; (4)ACD/LogD (pH 7.4): 0.4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.18; (7)ACD/KOC (pH 5.5): 23.64; (8)ACD/KOC (pH 7.4): 38.97; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 49.39 Å²; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 67.67 cm³; (15)Molar Volume: 202.5 cm³; (16)Polarizability: 26.82×10^-24cm³; (17)Surface Tension: 57.4 dyne/cm; (18)Enthalpy of Vaporization: 74.84 kJ/mol; (19)Vapour Pressure: 5.98E-08 mmHg at 25°C .

You can still convert the following datas into molecular structure: (1)SMILES:ClCCN(CCCl)C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O; (2)InChI:InChI=1/C10H19Cl2NO5/c11-1-3-13(4-2-12)5-6-7(14)8(15)9(16)10(17)18-6/h6-10,14-17H,1-5H2/t6-,7+,8+,9-,10?/m1/s1; (3)InChIKey:COKGUJJIBXWRNV-CYNREMDZBX; (4)Std. InChI:InChI=1S/C10H19Cl2NO5/c11-1-3-13(4-2-12)5-6-7(14)8(15)9(16)10(17)18-6/h6-10,14-17H,1-5H2/t6-,7+,8+,9-,10?/m1/s1; (5)Std. InChIKey:COKGUJJIBXWRNV-CYNREMDZSA-N .