Pregn-4-ene-3,20-dione,11,17,21-trihydroxy- supplier

Name
11-alpha,17-alpha,21-trihydroxypregn-4-ene-3,20-dione
EINECS 262-053-8
CAS No. 60103-17-5
Article Data11
CAS DataBase
Density 1.28 g/cm³
Solubility
Melting Point
Formula C₂₁H₃₀O₅
Boiling Point 566.4 °C at 760 mmHg
Molecular Weight 362.46
Flash Point 310.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 11-α,17-α,21-Trihydroxypregn-4-ene-3,20-dione;11α-Cortisol;
PSA 94.83000
LogP 1.78160

Pregn-4-ene-3,20-dione,11,17,21-trihydroxy- Specification

The Pregn-4-ene-3,20-dione,11,17,21-trihydroxy-, with the CAS registry number 60103-17-5, is also known as 11-α,17-α,21-Trihydroxypregn-4-ene-3,20-dione. Its EINECS number is 262-053-8. This chemical's molecular formula is C₂₁H₃₀O₅ and molecular weight is 362.46. What's more, its systematic name is (11α)-11,17,21-trihydroxypregn-4-ene-3,20-dione.

Physical properties of Pregn-4-ene-3,20-dione,11,17,21-trihydroxy- are: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 5; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 61.83 Å²; (7)Index of Refraction: 1.594; (8)Molar Refractivity: 95.57 cm³; (9)Molar Volume: 281.3 cm³; (10)Polarizability: 37.88×10^-24cm³; (11)Surface Tension: 58.8 dyne/cm; (12)Density: 1.28 g/cm³; (13)Flash Point: 310.4 °C; (14)Enthalpy of Vaporization: 97.71 kJ/mol; (15)Boiling Point: 566.4 °C at 760 mmHg; (16)Vapour Pressure: 3.44E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C4\C=C2/[C@]([C@H]1[C@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4
(2)Std. InChI: InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16+,18+,19-,20-,21-/m0/s1
(3)Std. InChIKey: JYGXADMDTFJGBT-MKIDGPAKSA-N

Product Name

11-alpha,17-alpha,21-trihydroxypregn-4-ene-3,20-dione

Pregn-4-ene-3,20-dione,11,17,21-trihydroxy- Specification

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