ChemSpider 2D Image | (2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxy(26,26,26-~2~H_3_)ergostan-6-one | C28H45D3O5

(2α,3α,5α,22R,23R)-2,3,22,23-Tetrahydroxy(26,26,26-2H3)ergostan-6-one

  • Molecular FormulaC28H45D3O5
  • Average mass467.696 Da
  • Monoisotopic mass467.369019 Da
  • ChemSpider ID107445318

  • defined stereocentres - 13 of 13 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2α,3α,5α,22R,23R)-2,3,22,23-Tetrahydroxy(26,26,26-2H3)ergostan-6-on [German] [ACD/IUPAC Name]
(2α,3α,5α,22R,23R)-2,3,22,23-Tetrahydroxy(26,26,26-2H3)ergostan-6-one [ACD/IUPAC Name]
(2α,3α,5α,22R,23R)-2,3,22,23-Tétrahydroxy(26,26,26-2H3)ergostan-6-one [French] [ACD/IUPAC Name]
Ergostan-6-one-26,26,26-d3, 2,3,22,23-tetrahydroxy-, (2α,3α,5α,22R,23R)- [ACD/Index Name]
1316216-47-3 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 598.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 102.3±6.0 kJ/mol
Flash Point: 329.9±26.6 °C
Index of Refraction: 1.542
Molar Refractivity: 129.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 127.72
ACD/KOC (pH 5.5): 1120.15
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 127.72
ACD/KOC (pH 7.4): 1120.15
Polar Surface Area: 98 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 412.3±3.0 cm3

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