Found 24 results

Search term: MF = 'C_{36}H_{49}NO_{9}'
ChemSpider 2D Image | (5R,6E,8E,10E,13S,14R,15R,16Z)-15,22,24-Trihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-oxabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-13-yl N-(cyclohexylcarbonyl)-D-alaninate | C36H49NO9

(5R,6E,8E,10E,13S,14R,15R,16Z)-15,22,24-Trihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-oxabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-13-yl N-(cyclohexylcarbonyl)-D-alaninate

  • Molecular FormulaC36H49NO9
  • Average mass639.776 Da
  • Monoisotopic mass639.340759 Da
  • ChemSpider ID26593056

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5R,6E,8E,10E,13S,14R,15R,16Z)-15,22,24-Trihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-oxabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-13-yl N-(cyclohexylcarbonyl)-D-alaninate [ACD/IUPAC Name]
(5R,6E,8E,10E,13S,14R,15R,16Z)-15,22,24-Trihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-oxabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-13-yl-N-(cyclohexylcarbonyl)-D-alaninat [German] [ACD/IUPAC Name]
D-Alanine, N-(cyclohexylcarbonyl)-, (5R,6E,8E,10E,13S,14R,15R,16Z)-15,22,24-trihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-oxabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-13-yl ester [ACD/Index Name]
N-(Cyclohexylcarbonyl)-D-alaninate de (5R,6E,8E,10E,13S,14R,15R,16Z)-15,22,24-trihydroxy-5-méthoxy-14,16-diméthyl-3-oxo-2-oxabicyclo[18.3.1]tétracosa-1(24),6,8,10,16,20,22-heptaén-13-yle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 808.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.2±3.0 kJ/mol
Flash Point: 442.6±34.3 °C
Index of Refraction: 1.583
Molar Refractivity: 174.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2458.59
ACD/KOC (pH 5.5): 9302.90
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2410.99
ACD/KOC (pH 7.4): 9122.78
Polar Surface Area: 152 Å2
Polarizability: 69.2±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 522.8±5.0 cm3

Click to predict properties on the Chemicalize site


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