ChemSpider 2D Image | bromophycolide H | C27H37Br3O4

bromophycolide H

  • Molecular FormulaC27H37Br3O4
  • Average mass665.292 Da
  • Monoisotopic mass662.024170 Da
  • ChemSpider ID9753121

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3R,7S,8S,11R,12S,15R)-7,11,15-Tribrom-12,22-dihydroxy-8,12,16,16-tetramethyl-4-methylen-17-oxatricyclo[17.3.1.03,8]tricosa-1(23),19,21-trien-18-on [German] [ACD/IUPAC Name]
(3R,7S,8S,11R,12S,15R)-7,11,15-Tribromo-12,22-dihydroxy-8,12,16,16-tetramethyl-4-methylene-17-oxatricyclo[17.3.1.03,8]tricosa-1(23),19,21-trien-18-one [ACD/IUPAC Name]
(3R,7S,8S,11R,12S,15R)-7,11,15-Tribromo-12,22-dihydroxy-8,12,16,16-tétraméthyl-4-méthylène-17-oxatricyclo[17.3.1.03,8]tricosa-1(23),19,21-trién-18-one [French] [ACD/IUPAC Name]
7H-2,6-Metheno-1H-8-benzoxacyclooctadecin-7-one, 10,14,17-tribromo-9,10,11,12,13,14,15,16,16a,17,18,19,20,20a-tetradecahydro-3,13-dihydroxy-9,9,13,16a-tetramethyl-20-methylene-, (10R,13S,14R,16aS,17S, 20aR)- [ACD/Index Name]
7H-6,2-metheno-1H-8-benzoxacyclooctadecin-7-one, 10,14,17-tribromo-9,10,11,12,13,14,15,16,16a,17,18,19,20,20a-tetradecahydro-3,13-dihydroxy-9,9,13,16a-tetramethyl-20-methylene-, (10R,13S,14R,16aS,17S,20aR)-
bromophycolide H
Bromophycolides H

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

Density: 1.5±0.1 g/cm3
Boiling Point: 683.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 367.0±31.5 °C
Index of Refraction: 1.602
Molar Refractivity: 147.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 7.95
ACD/LogD (pH 5.5): 7.54
ACD/BCF (pH 5.5): 315099.28
ACD/KOC (pH 5.5): 300061.34
ACD/LogD (pH 7.4): 7.50
ACD/BCF (pH 7.4): 287292.91
ACD/KOC (pH 7.4): 273582.00
Polar Surface Area: 67 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 430.0±5.0 cm3

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