ChemSpider 2D Image | (2S,6S,8S,9R,12Z,14E,25R,26E)-16-Ethyl-6,8,9-trihydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-1-oxa-4-azacyclooctacosa-12,14,26-triene-3,28-dione | C35H61NO7

(2S,6S,8S,9R,12Z,14E,25R,26E)-16-Ethyl-6,8,9-trihydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-1-oxa-4-azacyclooctacosa-12,14,26-triene-3,28-dione

  • Molecular FormulaC35H61NO7
  • Average mass607.861 Da
  • Monoisotopic mass607.444824 Da
  • ChemSpider ID9933099

  • 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

(2S,6S,8S,9R,12Z,14E,25R,26E)-16-Ethyl-6,8,9-trihydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-1-oxa-4-azacyclooctacosa-12,14,26-trien-3,28-dion [German] [ACD/IUPAC Name]
(2S,6S,8S,9R,12Z,14E,25R,26E)-16-Ethyl-6,8,9-trihydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-1-oxa-4-azacyclooctacosa-12,14,26-triene-3,28-dione [ACD/IUPAC Name]
(2S,6S,8S,9R,12Z,14E,25R,26E)-16-Éthyl-6,8,9-trihydroxy-12-(méthoxyméthyl)-25,27-diméthyl-2-propyl-1-oxa-4-azacyclooctacosa-12,14,26-triène-3,28-dione [French] [ACD/IUPAC Name]
1-Oxa-4-azacyclooctacosa-12,14,26-triene-3,28-dione, 16-ethyl-6,8,9-trihydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-, (2S,6S,8S,9R,12Z,14E,25R,26E)- [ACD/Index Name]
Megovalicin G

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

Density: 1.0±0.1 g/cm3
Boiling Point: 774.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.5±6.0 kJ/mol
Flash Point: 422.0±32.9 °C
Index of Refraction: 1.469
Molar Refractivity: 172.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 7.03
ACD/LogD (pH 5.5): 6.74
ACD/BCF (pH 5.5): 77918.86
ACD/KOC (pH 5.5): 110412.41
ACD/LogD (pH 7.4): 6.74
ACD/BCF (pH 7.4): 77918.69
ACD/KOC (pH 7.4): 110412.16
Polar Surface Area: 125 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 32.3±3.0 dyne/cm
Molar Volume: 619.2±3.0 cm3

Click to predict properties on the Chemicalize site


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