6ALPHA-HYDROXYESTRADIOL

The (6S,8S,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,6,17-triol, with the CAS registry number 1229-24-9, has the systematic name of (6alpha,17beta)-estra-1,3,5(10)-triene-3,6,17-triol. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₈H₂₄O₃.

The characteristics of (6S,8S,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,6,17-triol are as followings: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.28; (4)ACD/LogD (pH 7.4): 2.28; (5)ACD/BCF (pH 5.5): 31.83; (6)ACD/BCF (pH 7.4): 31.77; (7)ACD/KOC (pH 5.5): 414.3; (8)ACD/KOC (pH 7.4): 413.53; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 81.09 cm³; (15)Molar Volume: 229.6 cm³; (16)Polarizability: 32.14×10^-24cm³; (17)Surface Tension: 53.8 dyne/cm; (18)Density: 1.255 g/cm³; (19)Flash Point: 233.2 °C; (20)Enthalpy of Vaporization: 79.93 kJ/mol; (21)Boiling Point: 492 °C at 760 mmHg; (22)Vapour Pressure: 1.69E-10 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. What's more, there's limited evidence of a carcinogenic effect. Therefore, you had better take the following instructions: Do not breathe dust; Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Oc1cc3c(cc1)[C@H]2CC[C@@]4([C@@H](O)CC[C@H]4[C@@H]2C[C@@H]3O)C
(2)InChI: InChI=1/C18H24O3/c1-18-7-6-12-11-3-2-10(19)8-14(11)16(20)9-13(12)15(18)4-5-17(18)21/h2-3,8,12-13,15-17,19-21H,4-7,9H2,1H3/t12-,13-,15+,16+,17+,18+/m1/s1
(3)InChIKey: QZZRQURPSRWTLG-WOVZSMEKBS