Androst-4-ene-3,17-dione-19,19-d2,19-hydroxy- (71995-64-7)

The 19-Hydroxyandrostendione-19-D2, with cas registry number 71995-64-7, belongs to the following product categories: (1)All Inhibitors; (2)Inhibitors; (3)Intermediates & Fine Chemicals; (4)Isotope Labeled Compounds; (5)Pharmaceuticals; (6)Steroids. It has the systematic name of (8R,10S,13S)-10-[dideuterio(hydroxy)methyl]-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione.

Physical properties about this chemical are: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.218; (4)ACD/LogD (pH 7.4): 1.218; (5)ACD/BCF (pH 5.5): 4.964; (6)ACD/BCF (pH 7.4): 4.964; (7)ACD/KOC (pH 5.5): 109.567; (8)ACD/KOC (pH 7.4): 109.567; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.37 Å²; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 83.253 cm³; (15)Molar Volume: 253.274 cm³; (16)Polarizability: 33.004×10^-24cm³; (17)Surface Tension: 49.221 dyne/cm; (18)Enthalpy of Vaporization: 86.526 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C([2H])([C@]12CCC(=O)C=C1CC[C@@H]3C2CC[C@]4(C3CCC4=O)C)O
(2)InChI: InChI=1/C19H26O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-16,20H,2-9,11H2,1H3/t14-,15?,16?,18-,19+/m0/s1/i11D2
(3)InChIKey: XGUHPTGEXRHMQQ-TWXFGGLFFK
(4)Std. InChI: InChI=1S/C19H26O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-16,20H,2-9,11H2,1H3/t14-,15?,16?,18-,19+/m0/s1/i11D2
(5)Std. InChIKey: XGUHPTGEXRHMQQ-TWXFGGLFSA-N