ChemSpider 2D Image | (3E,5S,7R,8R,10R,11R,12R,15R,16S,18Z,25S)-11-Acetyl-28-hydroxy-10,26-dimethyl-21,26-diazapentacyclo[23.2.1.0~5,16~.0~7,15~.0~8,12~]octacosa-1(28),3,13,18-tetraene-2,20,27-trione | C30H38N2O5

(3E,5S,7R,8R,10R,11R,12R,15R,16S,18Z,25S)-11-Acetyl-28-hydroxy-10,26-dimethyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1(28),3,13,18-tetraene-2,20,27-trione

  • Molecular FormulaC30H38N2O5
  • Average mass506.633 Da
  • Monoisotopic mass506.278076 Da
  • ChemSpider ID35516708

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3E,5S,7R,8R,10R,11R,12R,15R,16S,18Z,25S)-11-Acetyl-28-hydroxy-10,26-dimethyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1(28),3,13,18-tetraen-2,20,27-trion [German] [ACD/IUPAC Name]
(3E,5S,7R,8R,10R,11R,12R,15R,16S,18Z,25S)-11-Acetyl-28-hydroxy-10,26-dimethyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1(28),3,13,18-tetraene-2,20,27-trione [ACD/IUPAC Name]
(3E,5S,7R,8R,10R,11R,12R,15R,16S,18Z,25S)-11-Acétyl-28-hydroxy-10,26-diméthyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1(28),3,13,18-tétraène-2,20,27-trione [French] [ACD/IUPAC Name]
14,17-Metheno-17H-as-indaceno[3,2-k][1,6]diazacycloheptadecine-9,16,18(1H)-trione, 3-acetyl-2,3,3a,5a,5b,6,10,11,12,13,14,15,20a,21,21a,21b-hexadecahydro-22-hydroxy-2,15-dimethyl-, (2R,3R,3aR,5aR,5bS, 7Z,14S,19E,20aS,21aR,21bR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 764.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.0±6.0 kJ/mol
Flash Point: 416.1±32.9 °C
Index of Refraction: 1.609
Molar Refractivity: 139.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 4.04
ACD/KOC (pH 5.5): 48.05
ACD/LogD (pH 7.4): -0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 402.1±5.0 cm3

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