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Keywords
D1-5a-Androstene-3,17-dione 5a-Androst-1-ene-3,17-dione (8CI) 1(5a)-Androstene-3,17-dione
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- Application:The CAS registry number of Androst-1-ene-3,17-dione,(5a)- is 571-40-4. It also can be called 1-Androstenedioneand. The IUPAC name is (5α)-androst-1-ene-3,17-dione. In addition, the molecular formula
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- Transportation:The CAS registry number of Androst-1-ene-3,17-dione,(5a)- is 571-40-4. It also can be called 1-Androstenedioneand. The IUPAC name is (5α)-androst-1-ene-3,17-dione. In addition, the molecular formula
Superiority:
The CAS registry number of Androst-1-ene-3,17-dione,(5a)- is 571-40-4. It also can be called 1-Androstenedioneand. The IUPAC name is (5α)-androst-1-ene-3,17-dione. In addition, the molecular formula is C19H26O2 and the molecular weight is 286.41.
Physical properties about Androst-1-ene-3,17-dione,(5a)- are: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.86; (4)ACD/LogD (pH 7.4): 2.86; (5)ACD/BCF (pH 5.5): 87.87; (6)ACD/BCF (pH 7.4): 87.87; (7)ACD/KOC (pH 5.5): 857.04; (8)ACD/KOC (pH 7.4): 857.04; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 34.14 Å2; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 81.63 cm3; (15)Molar Volume: 260.4 cm3; (16)Polarizability: 32.36 ×10-24cm3; (17)Surface Tension: 40.1 dyne/cm; (18)Density: 1.099 g/cm3; (19)Flash Point: 156.6 °C; (20)Enthalpy of Vaporization: 67.24 kJ/mol; (21)Boiling Point: 418.8 °C at 760 mmHg; (22)Vapour Pressure: 3.19E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C4\C=C/[C@]2([C@@H](CC[C@H]3[C@@H]1CCC(=O)[C@@]1(C)CC[C@H]23)C4)C
(2)InChI: InChI=1/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,12,14-16H,3-6,8,10-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1
(3)InChIKey: WJIQCDPCDVWDDE-WZNAKSSCBX
Details:
The CAS registry number of Androst-1-ene-3,17-dione,(5a)- is 571-40-4. It also can be called 1-Androstenedioneand. The IUPAC name is (5α)-androst-1-ene-3,17-dione. In addition, the molecular formula is C19H26O2 and the molecular weight is 286.41.
Physical properties about Androst-1-ene-3,17-dione,(5a)- are: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.86; (4)ACD/LogD (pH 7.4): 2.86; (5)ACD/BCF (pH 5.5): 87.87; (6)ACD/BCF (pH 7.4): 87.87; (7)ACD/KOC (pH 5.5): 857.04; (8)ACD/KOC (pH 7.4): 857.04; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 34.14 Å2; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 81.63 cm3; (15)Molar Volume: 260.4 cm3; (16)Polarizability: 32.36 ×10-24cm3; (17)Surface Tension: 40.1 dyne/cm; (18)Density: 1.099 g/cm3; (19)Flash Point: 156.6 °C; (20)Enthalpy of Vaporization: 67.24 kJ/mol; (21)Boiling Point: 418.8 °C at 760 mmHg; (22)Vapour Pressure: 3.19E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C4\C=C/[C@]2([C@@H](CC[C@H]3[C@@H]1CCC(=O)[C@@]1(C)CC[C@H]23)C4)C
(2)InChI: InChI=1/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,12,14-16H,3-6,8,10-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1
(3)InChIKey: WJIQCDPCDVWDDE-WZNAKSSCBX
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