ChemSpider 2D Image | (3E,5E,7E,9S,10R,11R,12S,14R,15E,17E,19E,21E,23E,26S)-10,11,12,14-Tetrahydroxy-9,19,21,26-tetramethylazacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one | C29H41NO5

(3E,5E,7E,9S,10R,11R,12S,14R,15E,17E,19E,21E,23E,26S)-10,11,12,14-Tetrahydroxy-9,19,21,26-tetramethylazacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one

  • Molecular FormulaC29H41NO5
  • Average mass483.639 Da
  • Monoisotopic mass483.298462 Da
  • ChemSpider ID40256617

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3E,5E,7E,9S,10R,11R,12S,14R,15E,17E,19E,21E,23E,26S)-10,11,12,14-Tetrahydroxy-9,19,21,26-tetramethylazacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-on [German] [ACD/IUPAC Name]
(3E,5E,7E,9S,10R,11R,12S,14R,15E,17E,19E,21E,23E,26S)-10,11,12,14-Tetrahydroxy-9,19,21,26-tetramethylazacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one [ACD/IUPAC Name]
(3E,5E,7E,9S,10R,11R,12S,14R,15E,17E,19E,21E,23E,26S)-10,11,12,14-Tétrahydroxy-9,19,21,26-tétraméthylazacyclohexacosa-3,5,7,15,17,19,21,23-octaén-2-one [French] [ACD/IUPAC Name]
Azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one, 10,11,12,14-tetrahydroxy-9,19,21,26-tetramethyl-, (3E,5E,7E,9S,10R,11R,12S,14R,15E,17E,19E,21E,23E,26S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 709.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.5±6.0 kJ/mol
Flash Point: 382.7±32.9 °C
Index of Refraction: 1.519
Molar Refractivity: 140.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 138.13
ACD/KOC (pH 5.5): 1184.74
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 138.13
ACD/KOC (pH 7.4): 1184.74
Polar Surface Area: 110 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 464.0±3.0 cm3

Click to predict properties on the Chemicalize site


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