Found 6 results

Search term: MF = 'C_{25}H_{38}ClNO_{5}'
ChemSpider 2D Image | (2E,4E,6R)-N-[(1S,2S,3S,5S)-1-Chloro-2,5-dihydroxy-9-methoxy-7-methyl-8-oxobicyclo[3.3.1]non-6-en-3-yl]-4,6-dimethyl-2,4-dodecadienamide | C25H38ClNO5

(2E,4E,6R)-N-[(1S,2S,3S,5S)-1-Chloro-2,5-dihydroxy-9-methoxy-7-methyl-8-oxobicyclo[3.3.1]non-6-en-3-yl]-4,6-dimethyl-2,4-dodecadienamide

  • Molecular FormulaC25H38ClNO5
  • Average mass468.026 Da
  • Monoisotopic mass467.243866 Da
  • ChemSpider ID21430719

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(2E,4E,6R)-N-[(1S,2S,3S,5S)-1-Chlor-2,5-dihydroxy-9-methoxy-7-methyl-8-oxobicyclo[3.3.1]non-6-en-3-yl]-4,6-dimethyl-2,4-dodecadienamid [German] [ACD/IUPAC Name]
(2E,4E,6R)-N-[(1S,2S,3S,5S)-1-Chloro-2,5-dihydroxy-9-methoxy-7-methyl-8-oxobicyclo[3.3.1]non-6-en-3-yl]-4,6-dimethyl-2,4-dodecadienamide [ACD/IUPAC Name]
2,4-Dodecadienamide, N-[(1S,2S,3S,5S)-1-chloro-2,5-dihydroxy-9-methoxy-7-methyl-8-oxobicyclo[3.3.1]non-6-en-3-yl]-4,6-dimethyl-, (2E,4E,6R)- [ACD/Index Name]
2,4-dodecadienimidic acid, N-[(1S,2S,3S,5S)-1-chloro-2,5-dihydroxy-9-methoxy-7-methyl-8-oxobicyclo[3.3.1]non-6-en-3-yl]-4,6-dimethyl-, (1E,2E,4E,6R)-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 627.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.4±6.0 kJ/mol
Flash Point: 333.2±34.3 °C
Index of Refraction: 1.549
Molar Refractivity: 125.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.27
ACD/LogD (pH 5.5): 5.06
ACD/BCF (pH 5.5): 3637.34
ACD/KOC (pH 5.5): 10681.16
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 3596.07
ACD/KOC (pH 7.4): 10559.99
Polar Surface Area: 99 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 40.4±7.0 dyne/cm
Molar Volume: 393.7±7.0 cm3

Click to predict properties on the Chemicalize site


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