ChemSpider 2D Image | PM00104 | C37H38F3N3O8

PM00104

  • Molecular FormulaC37H38F3N3O8
  • Average mass709.708 Da
  • Monoisotopic mass709.261108 Da
  • ChemSpider ID17221087

  • 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

(1R,2S,13R,15S,16S)-15,22-Dihydroxy-21-methoxy-6,20,24-trimethyl-13-[({(2E)-3-[3-(trifluormethyl)phenyl]-2-propenoyl}amino)methyl]-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,2 3]tetracosa-4,6,11,18,20,22-hexaen-5-yl-acetat [German] [ACD/IUPAC Name]
(1R,2S,13R,15S,16S)-15,22-Dihydroxy-21-methoxy-6,20,24-trimethyl-13-[({(2E)-3-[3-(trifluoromethyl)phenyl]-2-propenoyl}amino)methyl]-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018, 23]tetracosa-4,6,11,18,20,22-hexaen-5-yl acetate [ACD/IUPAC Name]
2-Propenamide, N-[[(6aS,7R,13S,14S,16R)-5-(acetyloxy)-6,6a,7,13,14,16-hexahydro-8,14-dihydroxy-9-methoxy-4,10,17-trimethyl-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocin-16-yl]methyl]-3-[ 3-(trifluoromethyl)phenyl]-, (2E)- [ACD/Index Name]
308359-57-1 [RN]
Acétate de (1R,2S,13R,15S,16S)-15,22-dihydroxy-21-méthoxy-6,20,24-triméthyl-13-[({(2E)-3-[3-(trifluorométhyl)phényl]-2-propenoyl}amino)méthyl]-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.0 7,11.018,23]tétracosa-4,6,11,18,20,22-hexaén-5-yle [French] [ACD/IUPAC Name]
C21EZR41AY
PM00104
PM-00104
[(1R,2S,13R,15S,16S)-15,22-dihydroxy-21-methoxy-6,20,24-trimethyl-13-[[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]methyl]-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4,6,11,18(23),19,21-hexaen-5-yl] acetate
NOCAS_44026
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 800.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.0±3.0 kJ/mol
Flash Point: 437.8±34.3 °C
Index of Refraction: 1.662
Molar Refractivity: 177.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 406.15
ACD/KOC (pH 5.5): 2327.60
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 565.48
ACD/KOC (pH 7.4): 3240.74
Polar Surface Area: 130 Å2
Polarizability: 70.5±0.5 10-24cm3
Surface Tension: 69.0±5.0 dyne/cm
Molar Volume: 480.3±5.0 cm3

Click to predict properties on the Chemicalize site


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