Found 366 results

Search term: MF = 'C_{26}H_{30}ClNO_{5}'
ChemSpider 2D Image | (4-{[(6aS,7aS,11aS,12aS)-2-Chloro-6,6-dimethyl-6a,7a,10,11,11a,12a-hexahydro-6H,7H-chromeno[3',4':5,6]pyrano[3,2-c]pyridin-9(8H)-yl]methyl}phenoxy)acetic acid | C26H30ClNO5

(4-{[(6aS,7aS,11aS,12aS)-2-Chloro-6,6-dimethyl-6a,7a,10,11,11a,12a-hexahydro-6H,7H-chromeno[3',4':5,6]pyrano[3,2-c]pyridin-9(8H)-yl]methyl}phenoxy)acetic acid

  • Molecular FormulaC26H30ClNO5
  • Average mass471.973 Da
  • Monoisotopic mass471.181244 Da
  • ChemSpider ID60576867

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4-{[(6aS,7aS,11aS,12aS)-2-Chlor-6,6-dimethyl-6a,7a,10,11,11a,12a-hexahydro-6H,7H-chromeno[3',4':5,6]pyrano[3,2-c]pyridin-9(8H)-yl]methyl}phenoxy)essigsäure [German] [ACD/IUPAC Name]
(4-{[(6aS,7aS,11aS,12aS)-2-Chloro-6,6-dimethyl-6a,7a,10,11,11a,12a-hexahydro-6H,7H-chromeno[3',4':5,6]pyrano[3,2-c]pyridin-9(8H)-yl]methyl}phenoxy)acetic acid [ACD/IUPAC Name]
Acetic acid, 2-[4-[[(6aS,7aS,11aS,12aS)-2-chloro-6a,7a,10,11,11a,12a-hexahydro-6,6-dimethyl-6H,7H-[1]benzopyrano[3',4':5,6]pyrano[3,2-c]pyridin-9(8H)-yl]methyl]phenoxy]- [ACD/Index Name]
Acide (4-{[(6aS,7aS,11aS,12aS)-2-chloro-6,6-diméthyl-6a,7a,10,11,11a,12a-hexahydro-6H,7H-chroméno[3',4':5,6]pyrano[3,2-c]pyridin-9(8H)-yl]méthyl}phénoxy)acétique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 595.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 313.8±30.1 °C
Index of Refraction: 1.578
Molar Refractivity: 125.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.68
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 69.63
ACD/KOC (pH 5.5): 141.20
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 66.50
ACD/KOC (pH 7.4): 134.86
Polar Surface Area: 68 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 377.2±3.0 cm3

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