ChemSpider 2D Image | (2S,6S,8S,9R,14E,16R,25R,27S)-16-Ethyl-6,8,9-trihydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-1-oxa-4-azacyclooctacosa-12,14-diene-3,20,28-trione | C35H61NO8

(2S,6S,8S,9R,14E,16R,25R,27S)-16-Ethyl-6,8,9-trihydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-1-oxa-4-azacyclooctacosa-12,14-diene-3,20,28-trione

  • Molecular FormulaC35H61NO8
  • Average mass623.861 Da
  • Monoisotopic mass623.439697 Da
  • ChemSpider ID58133460

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2S,6S,8S,9R,14E,16R,25R,27S)-16-Ethyl-6,8,9-trihydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-1-oxa-4-azacyclooctacosa-12,14-dien-3,20,28-trion [German] [ACD/IUPAC Name]
(2S,6S,8S,9R,14E,16R,25R,27S)-16-Ethyl-6,8,9-trihydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-1-oxa-4-azacyclooctacosa-12,14-diene-3,20,28-trione [ACD/IUPAC Name]
(2S,6S,8S,9R,14E,16R,25R,27S)-16-Éthyl-6,8,9-trihydroxy-12-(méthoxyméthyl)-25,27-diméthyl-2-propyl-1-oxa-4-azacyclooctacosa-12,14-diène-3,20,28-trione [French] [ACD/IUPAC Name]
1-Oxa-4-azacyclooctacosa-12,14-diene-3,20,28-trione, 16-ethyl-6,8,9-trihydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-, (2S,6S,8S,9R,14E,16R,25R,27S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 796.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.9±6.0 kJ/mol
Flash Point: 435.4±32.9 °C
Index of Refraction: 1.466
Molar Refractivity: 173.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1930.67
ACD/KOC (pH 5.5): 7825.42
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1930.67
ACD/KOC (pH 7.4): 7825.40
Polar Surface Area: 142 Å2
Polarizability: 68.6±0.5 10-24cm3
Surface Tension: 32.9±3.0 dyne/cm
Molar Volume: 624.4±3.0 cm3

Click to predict properties on the Chemicalize site


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