ChemSpider 2D Image | Calphostin C | C44H38O14

Calphostin C

  • Molecular FormulaC44H38O14
  • Average mass790.764 Da
  • Monoisotopic mass790.226135 Da
  • ChemSpider ID9106020

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-1-{3,10-Dihydroxy-12-[(2R)-2-{[(4-hydroxyphenoxy)carbonyl]oxy}propyl]-2,6,7,11-tetramethoxy-4,9-dioxo-4,9-dihydro-1-perylenyl}-2-propanyl benzoate [ACD/IUPAC Name]
(2R)-1-{3,10-Dihydroxy-12-[(2R)-2-{[(4-hydroxyphenoxy)carbonyl]oxy}propyl]-2,6,7,11-tetramethoxy-4,9-dioxo-4,9-dihydro-1-perylenyl}-2-propanyl-benzoat [German] [ACD/IUPAC Name]
Benzoate de (2R)-1-{3,10-dihydroxy-12-[(2R)-2-{[(4-hydroxyphénoxy)carbonyl]oxy}propyl]-2,6,7,11-tétraméthoxy-4,9-dioxo-4,9-dihydro-1-pérylényl}-2-propanyle [French] [ACD/IUPAC Name]
Calphostin C [Wiki]
Carbonic acid, (1R)-2-[12-[(2R)-2-(benzoyloxy)propyl]-4,9-dihydro-3,10-dihydroxy-2,6,7,11-tetramethoxy-4,9-dioxo-1-perylenyl]-1-methylethyl 4-hydroxyphenyl ester [ACD/Index Name]
(2R)-1-{3,10-dihydroxy-12-[(2R)-2-[(4-hydroxyphenoxycarbonyl)oxy]propyl]-2,6,7,11-tetramethoxy-4,9-dioxo-4,9-dihydroperylen-1-yl}propan-2-yl benzoate
(R)-1-(3,10-dihydroxy-12-((R)-2-(((4-hydroxyphenoxy)carbonyl)oxy)propyl)-2,6,7,11-tetramethoxy-4,9-dioxo-4,9-dihydroperylen-1-yl)propan-2-yl benzoate
[(2R)-1-[3,10-Dihydroxy-12-[(2R)-2-(4-hydroxyphenoxy)carbonyloxypropyl]-2,6,7,11-tetramethoxy-4,9-dioxoperylen-1-yl]propan-2-yl] benzoate
121263-19-2 [RN]
CHEMBL460433

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1037.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 157.0±3.0 kJ/mol
Flash Point: 316.4±27.8 °C
Index of Refraction: 1.708
Molar Refractivity: 207.1±0.4 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 7.41
ACD/LogD (pH 5.5): 7.03
ACD/BCF (pH 5.5): 129925.87
ACD/KOC (pH 5.5): 158248.59
ACD/LogD (pH 7.4): 6.57
ACD/BCF (pH 7.4): 44225.84
ACD/KOC (pH 7.4): 53866.70
Polar Surface Area: 194 Å2
Polarizability: 82.1±0.5 10-24cm3
Surface Tension: 78.8±5.0 dyne/cm
Molar Volume: 531.3±5.0 cm3

Click to predict properties on the Chemicalize site


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