ChemSpider 2D Image | NORSELIC ACID A | C29H40O4

NORSELIC ACID A

  • Molecular FormulaC29H40O4
  • Average mass452.625 Da
  • Monoisotopic mass452.292664 Da
  • ChemSpider ID25050562
  • defined stereocentres - 8 of 8 defined stereocentres


More details:



Featured data source



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

(24R)-24-Hydroxy-3-oxostigmasta-1,4,6,25-tetraen-18-oic acid [ACD/IUPAC Name]
(24R)-24-Hydroxy-3-oxostigmasta-1,4,6,25-tetraen-18-säure [German] [ACD/IUPAC Name]
Acide (24R)-24-hydroxy-3-oxostigmasta-1,4,6,25-tétraén-18-oïque [French] [ACD/IUPAC Name]
NORSELIC ACID A
Stigmasta-1,4,6,25-tetraen-18-oic acid, 24-hydroxy-3-oxo-, (24R)- [ACD/Index Name]
3-oxo-24R-hydroxy-poriferast-1,4,6,26-tetraen-18-oic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 621.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.6±6.0 kJ/mol
Flash Point: 343.9±28.0 °C
Index of Refraction: 1.573
Molar Refractivity: 130.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 283.99
ACD/KOC (pH 5.5): 1098.55
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 4.48
ACD/KOC (pH 7.4): 17.31
Polar Surface Area: 75 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 395.6±5.0 cm3

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