ChemSpider 2D Image | Anthracimycin | C25H32O4

Anthracimycin

  • Molecular FormulaC25H32O4
  • Average mass396.519 Da
  • Monoisotopic mass396.230072 Da
  • ChemSpider ID29272409
  • 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

(1Z,4R,7R,8E,10Z,12R,12aR,14aR,18aS,18bR)-1-Hydroxy-4,7,12,16-tetramethyl-7,12,12a,14a,15,18,18a,18b-octahydro-3H-naphtho[1,2-g]oxacyclotetradecin-3,5(4H)-dion [German] [ACD/IUPAC Name]
(1Z,4R,7R,8E,10Z,12R,12aR,14aR,18aS,18bR)-1-Hydroxy-4,7,12,16-tetramethyl-7,12,12a,14a,15,18,18a,18b-octahydro-3H-naphtho[1,2-g]oxacyclotetradecine-3,5(4H)-dione [ACD/IUPAC Name]
(1Z,4R,7R,8E,10Z,12R,12aR,14aR,18aS,18bR)-1-Hydroxy-4,7,12,16-tétraméthyl-7,12,12a,14a,15,18,18a,18b-octahydro-3H-naphto[1,2-g]oxacyclotétradécine-3,5(4H)-dione [French] [ACD/IUPAC Name]
3H-Naphth[1,2-g]oxacyclotetradecin-3,5(4H)-dione, 7,12,12a,14a,15,18,18a,18b-octahydro-1-hydroxy-4,7,12,16-tetramethyl-, (1Z,4R,7R,8E,10Z,12R,12aR,14aR,18aS,18bR)- [ACD/Index Name]
Anthracimycin [Wiki]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 583.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.1±6.0 kJ/mol
Flash Point: 196.0±23.6 °C
Index of Refraction: 1.515
Molar Refractivity: 113.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 308.90
ACD/KOC (pH 5.5): 994.05
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 5.54
ACD/KOC (pH 7.4): 17.82
Polar Surface Area: 64 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 34.0±3.0 dyne/cm
Molar Volume: 375.7±3.0 cm3

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