ChemSpider 2D Image | reidispongiolide A | C54H87NO13

reidispongiolide A

  • Molecular FormulaC54H87NO13
  • Average mass958.268 Da
  • Monoisotopic mass957.617737 Da
  • ChemSpider ID10319272

  • Double-bond stereo - Double-bond stereo

More details:

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

Formamide, N-[(1E)-4,10-dimethoxy-5,9-dimethyl-6-oxo-11-[(5E,7E,13E,19E)-3,15,17,21,23-pentamethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-5,7,13,19,28-pentaen-11-yl]-1-d odecen-1-yl]-N-methyl- [ACD/Index Name]
N-{(1E)-4,10-Dimethoxy-5,9-dimethyl-6-oxo-11-[(5E,7E,13E,19E)-3,15,17,21,23-pentamethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]-1-dodecen-1 -yl}-N-methylformamid [German] [ACD/IUPAC Name]
N-{(1E)-4,10-Dimethoxy-5,9-dimethyl-6-oxo-11-[(5E,7E,13E,19E)-3,15,17,21,23-pentamethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]-1-dodecen-1 -yl}-N-methylformamide [ACD/IUPAC Name]
N-{(1E)-4,10-Diméthoxy-5,9-diméthyl-6-oxo-11-[(5E,7E,13E,19E)-3,15,17,21,23-pentaméthoxy-5,12,18,24-tétraméthyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaén-11-yl]-1-dodécén-1 -yl}-N-méthylformamide [French] [ACD/IUPAC Name]
reidispongiolide A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 959.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.9±3.0 kJ/mol
Flash Point: 534.1±34.3 °C
Index of Refraction: 1.518
Molar Refractivity: 266.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 6.29
ACD/BCF (pH 5.5): 35488.33
ACD/KOC (pH 5.5): 62883.03
ACD/LogD (pH 7.4): 6.29
ACD/BCF (pH 7.4): 35488.72
ACD/KOC (pH 7.4): 62883.72
Polar Surface Area: 155 Å2
Polarizability: 105.8±0.5 10-24cm3
Surface Tension: 42.9±5.0 dyne/cm
Molar Volume: 881.3±5.0 cm3

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