ChemSpider 2D Image | (16alpha,17beta)-16,17-Dihydroxy(2,4,6,6,9-~2~H_5_)estra-1(10),2,4-trien-3-yl hydrogen sulfate | C18H19D5O6S

(16α,17β)-16,17-Dihydroxy(2,4,6,6,9-2H5)estra-1(10),2,4-trien-3-yl hydrogen sulfate

  • Molecular FormulaC18H19D5O6S
  • Average mass373.475 Da
  • Monoisotopic mass373.160736 Da
  • ChemSpider ID107450422

  • defined stereocentres - 6 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(16α,17β)-16,17-Dihydroxy(2,4,6,6,9-2H5)estra-1(10),2,4-trien-3-yl hydrogen sulfate [ACD/IUPAC Name]
(16α,17β)-16,17-Dihydroxy(2,4,6,6,9-2H5)estra-1(10),2,4-trien-3-ylhydrogensulfat [German] [ACD/IUPAC Name]
Estra-1(10),2,4-triene-2,4,6,6,9-d5-3,16,17-triol, 3-(hydrogen sulfate), (16α,17β)- [ACD/Index Name]
Hydrogénosulfate de (16α,17β)-16,17-dihydroxy(2,4,6,6,9-2H5)estra-1(10),2,4-trién-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.628
Molar Refractivity: 91.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.76
ACD/LogD (pH 5.5): -2.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 62.7±3.0 dyne/cm
Molar Volume: 257.2±3.0 cm3

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