Found 1 result

Search term: 68003745 (Found by CSID)
ChemSpider 2D Image | trienomycin I | C28H37NO6

trienomycin I

  • Molecular FormulaC28H37NO6
  • Average mass483.596 Da
  • Monoisotopic mass483.262085 Da
  • ChemSpider ID68003745

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 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-Dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-13-yl acetate [ACD/IUPAC Name]
(5R,6E,8E,10E,13S,14R,15R,16Z)-15,22-Dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-13-yl-acetat [German] [ACD/IUPAC Name]
2-Azabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-3-one, 13-(acetyloxy)-15,22-dihydroxy-5-methoxy-14,16-dimethyl-, (5R,6E,8E,10E,13S,14R,15R,16Z)- [ACD/Index Name]
Acétate de (5R,6E,8E,10E,13S,14R,15R,16Z)-15,22-dihydroxy-5-méthoxy-14,16-diméthyl-3-oxo-2-azabicyclo[18.3.1]tétracosa-1(24),6,8,10,16,20,22-heptaén-13-yle [French] [ACD/IUPAC Name]
trienomycin I

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

Density: 1.2±0.1 g/cm3
Boiling Point: 671.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 360.0±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 136.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 897.99
ACD/KOC (pH 5.5): 4524.20
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 893.20
ACD/KOC (pH 7.4): 4500.07
Polar Surface Area: 105 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 412.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement