ChemSpider 2D Image | (7S,8S,11R,12S,15R)-7,11,15-Tribromo-12,22-dihydroxy-4,8,12,16,16-pentamethyl-17-oxatricyclo[17.3.1.0~3,8~]tricosa-1(23),3,19,21-tetraen-18-one | C27H37Br3O4

(7S,8S,11R,12S,15R)-7,11,15-Tribromo-12,22-dihydroxy-4,8,12,16,16-pentamethyl-17-oxatricyclo[17.3.1.03,8]tricosa-1(23),3,19,21-tetraen-18-one

  • Molecular FormulaC27H37Br3O4
  • Average mass665.292 Da
  • Monoisotopic mass662.024170 Da
  • ChemSpider ID29213399

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(7S,8S,11R,12S,15R)-7,11,15-Tribrom-12,22-dihydroxy-4,8,12,16,16-pentamethyl-17-oxatricyclo[17.3.1.03,8]tricosa-1(23),3,19,21-tetraen-18-on [German] [ACD/IUPAC Name]
(7S,8S,11R,12S,15R)-7,11,15-Tribromo-12,22-dihydroxy-4,8,12,16,16-pentamethyl-17-oxatricyclo[17.3.1.03,8]tricosa-1(23),3,19,21-tetraen-18-one [ACD/IUPAC Name]
(7S,8S,11R,12S,15R)-7,11,15-Tribromo-12,22-dihydroxy-4,8,12,16,16-pentaméthyl-17-oxatricyclo[17.3.1.03,8]tricosa-1(23),3,19,21-tétraén-18-one [French] [ACD/IUPAC 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-dodecahydro-3,13-dihydroxy-9,9,13,16a,20-pentamethyl-, (10R,13S,14R,16aS,17S)- [ACD/Index Name]
bromophycolide B

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

Density: 1.6±0.1 g/cm3
Boiling Point: 697.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 375.4±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 147.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 8.09
ACD/LogD (pH 5.5): 7.99
ACD/BCF (pH 5.5): 697515.00
ACD/KOC (pH 5.5): 529862.94
ACD/LogD (pH 7.4): 7.93
ACD/BCF (pH 7.4): 611263.13
ACD/KOC (pH 7.4): 464342.22
Polar Surface Area: 67 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 55.0±5.0 dyne/cm
Molar Volume: 427.3±5.0 cm3

Click to predict properties on the Chemicalize site


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