Found 29 results

Search term: MF = 'C_{26}H_{47}NO_{3}'
ChemSpider 2D Image | (2beta,3alpha,5alpha,17beta)-2-[(3-Butoxypropyl)amino]androstane-3,17-diol | C26H47NO3

(2β,3α,5α,17β)-2-[(3-Butoxypropyl)amino]androstane-3,17-diol

  • Molecular FormulaC26H47NO3
  • Average mass421.656 Da
  • Monoisotopic mass421.355591 Da
  • ChemSpider ID24706641

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2β,3α,5α,17β)-2-[(3-Butoxypropyl)amino]androstan-3,17-diol [German] [ACD/IUPAC Name]
(2β,3α,5α,17β)-2-[(3-Butoxypropyl)amino]androstane-3,17-diol [ACD/IUPAC Name]
(2β,3α,5α,17β)-2-[(3-Butoxypropyl)amino]androstane-3,17-diol [French] [ACD/IUPAC Name]
Androstane-3,17-diol, 2-[(3-butoxypropyl)amino]-, (2β,3α,5α,17β)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL494214/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 543.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.5±6.0 kJ/mol
Flash Point: 282.3±30.1 °C
Index of Refraction: 1.536
Molar Refractivity: 122.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.27
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 2.35
ACD/KOC (pH 7.4): 12.50
Polar Surface Area: 62 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 44.5±5.0 dyne/cm
Molar Volume: 392.9±5.0 cm3

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