ChemSpider 2D Image | (3alpha,5beta,7alpha,8alpha,10alpha,13alpha,15R)-3,15-Dibromo-7-hydroxypimar-9(11)-en-16-yl hydrogen sulfate | C20H32Br2O5S

(3α,5β,7α,8α,10α,13α,15R)-3,15-Dibromo-7-hydroxypimar-9(11)-en-16-yl hydrogen sulfate

  • Molecular FormulaC20H32Br2O5S
  • Average mass544.338 Da
  • Monoisotopic mass542.033691 Da
  • ChemSpider ID24652675

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3α,5β,7α,8α,10α,13α,15R)-3,15-Dibrom-7-hydroxypimar-9(11)-en-16-ylhydrogensulfat [German] [ACD/IUPAC Name]
(3α,5β,7α,8α,10α,13α,15R)-3,15-Dibromo-7-hydroxypimar-9(11)-en-16-yl hydrogen sulfate [ACD/IUPAC Name]
2-Phenanthreneethanol, β,7-dibromo-1,2,3,4b,5,6,7,8,8a,9,10,10a-dodecahydro-10-hydroxy-2,4b,8,8-tetramethyl-, α-(hydrogen sulfate), (βR,2S,4bR,7R,8aS,10R,10aR)- [ACD/Index Name]
Hydrogénosulfate de (3α,5β,7α,8α,10α,13α,15R)-3,15-dibromo-7-hydroxypimar-9(11)-én-16-yle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.595
Molar Refractivity: 117.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.57
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.57
Polar Surface Area: 92 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 56.2±5.0 dyne/cm
Molar Volume: 345.1±5.0 cm3

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