ChemSpider 2D Image | (10E,12R,15S)-9-Ethyl-4-hydroxy-12-(1-hydroxyethyl)-3,15-dimethyl-13-oxa-19-azatetracyclo[18.3.1.0~5,23~.0~15,21~]tetracosa-1(23),2,4,10,16,20-hexaene-6,14,18,22,24-pentone | C28H29NO8

(10E,12R,15S)-9-Ethyl-4-hydroxy-12-(1-hydroxyethyl)-3,15-dimethyl-13-oxa-19-azatetracyclo[18.3.1.05,23.015,21]tetracosa-1(23),2,4,10,16,20-hexaene-6,14,18,22,24-pentone

  • Molecular FormulaC28H29NO8
  • Average mass507.532 Da
  • Monoisotopic mass507.189331 Da
  • ChemSpider ID31135849

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(10E,12R,15S)-9-Ethyl-4-hydroxy-12-(1-hydroxyethyl)-3,15-dimethyl-13-oxa-19-azatetracyclo[18.3.1.05,23.015,21]tetracosa-1(23),2,4,10,16,20-hexaen-6,14,18,22,24-penton [German] [ACD/IUPAC Name]
(10E,12R,15S)-9-Ethyl-4-hydroxy-12-(1-hydroxyethyl)-3,15-dimethyl-13-oxa-19-azatetracyclo[18.3.1.05,23.015,21]tetracosa-1(23),2,4,10,16,20-hexaene-6,14,18,22,24-pentone [ACD/IUPAC Name]
(10E,12R,15S)-9-Éthyl-4-hydroxy-12-(1-hydroxyéthyl)-3,15-diméthyl-13-oxa-19-azatétracyclo[18.3.1.05,23.015,21]tétracosa-1(23),2,4,10,16,20-hexaène-6,14,18,22,24-pentone [French] [ACD/IUPAC Name]
1,18-Methano[5]benzoxacyclotetradecino[2,3-c]azepine-3,6,14,19,20-pentone, 11-ethyl-2,5a,8,11,12,13-hexahydro-15-hydroxy-8-(1-hydroxyethyl)-5a,16-dimethyl-, (5aS,8R,9E)- [ACD/Index Name]
Hygrocin G

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

Density: 1.4±0.1 g/cm3
Boiling Point: 859.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.8±3.0 kJ/mol
Flash Point: 473.4±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 130.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 70.48
ACD/KOC (pH 5.5): 529.60
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 1.03
ACD/KOC (pH 7.4): 7.75
Polar Surface Area: 147 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 67.0±5.0 dyne/cm
Molar Volume: 364.7±5.0 cm3

Click to predict properties on the Chemicalize site


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