ChemSpider 2D Image | Bryoamaride | C36H54O12

Bryoamaride

  • Molecular FormulaC36H54O12
  • Average mass678.807 Da
  • Monoisotopic mass678.361511 Da
  • ChemSpider ID23264945
  • defined stereocentres - 13 of 13 defined stereocentres


More details:






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

(4R,9β)-16,20,25-trihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-2,5-dien-2-yl β-D-glucopyranoside
(4R,9β,16α)-16,20,25-Trihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-2,5-dien-2-yl β-D-glucopyranoside [ACD/IUPAC Name]
(4R,9β,16α)-16,20,25-Trihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-2,5-dien-2-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Bryoamaride [Wiki]
Estra-1,5-diene-3,11-dione, 17-[(1R)-1,5-dihydroxy-1,5-dimethyl-2-oxohexyl]-2-(β-D-glucopyranosyloxy)-16-hydroxy-4,4,9,14-tetramethyl-, (9β,10α,16α,17β)- [ACD/Index Name]
estra-1,5-diene-3,11-dione, 17-[(1R)-1,5-dihydroxy-1,5-dimethyl-2-oxohexyl]-2-(β-D-glucopyranosyloxy)-16-hydroxy-4,4,9,14-tetramethyl-, (9β,10α,17β)-
β-D-Glucopyranoside de (4R,9β,16α)-16,20,25-trihydroxy-9,10,14-triméthyl-1,11,22-trioxo-4,9-cyclo-9,10-sécocholesta-2,5-dién-2-yle [French] [ACD/IUPAC Name]
61105-51-9 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 866.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 143.0±6.0 kJ/mol
Flash Point: 266.1±27.8 °C
Index of Refraction: 1.607
Molar Refractivity: 172.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 5.36
ACD/KOC (pH 5.5): 115.83
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 5.36
ACD/KOC (pH 7.4): 115.83
Polar Surface Area: 211 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 67.0±5.0 dyne/cm
Molar Volume: 498.8±5.0 cm3

Click to predict properties on the Chemicalize site





Feedback Form