Chemical Properties of 3«alpha»,16«alpha»,17«beta»-Trihydroxy-5«alpha»-androstane, tris-TMS

InChI

InChI=1S/C28H56O3Si3/c1-27-16-14-21(29-32(3,4)5)18-20(27)12-13-22-23(27)15-17-28(2)24(22)19-25(30-33(6,7)8)26(28)31-34(9,10)11/h20-26H,12-19H2,1-11H3/t20-,21+,22?,23?,24?,25+,26-,27?,28?/m1/s1

InChI Key

RQCSPBXXGJRUKU-GOWWAKEWSA-N

Formula

C28H56O3Si3

SMILES

CC12CCC(O[Si](C)(C)C)CC1CCC1C2CCC2(C)C1CC(O[Si](C)(C)C)C2O[Si](C)(C)C

Molecular Weight¹

525.00

Other Names

• 5A-Androstan-3A,16A,17B-triol, tris-TMS
• 5«alpha»-Androstane-3«alpha», 16«alpha»,17«beta»-triol, MO TMS

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6593		Relay (... Calculated Property
ΔfG°	-35.31	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1061.83	kJ/mol	Relay (... Calculated Property
ΔvapH°	102.80	kJ/mol	Relay (... Calculated Property
IE	8.94	eV	Relay (... Calculated Property
log10WS	-6.74		Relay (... Calculated Property
logPoct/wat	8.299		Crippen Calculated Property
Pc	-193.77	kPa	Relay (... Calculated Property ⚠️
Inp	[2774.00; 2785.00]
Inp	2774.00		NIST
Inp	2778.00		NIST
Inp	2785.00		NIST
Tboil	689.52	K	Relay (... Calculated Property
Tc	941.20	K	Relay (... Calculated Property
Tfus	371.29	K	Relay (... Calculated Property
Vc	1.738	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 3«alpha»,16«alpha»,17«beta»-Trihydroxy-5«alpha»-androstane, tris-TMS.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• NIST Webbook

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