ChemSpider 2D Image | Calphostin C | C44H38O14

Calphostin C

  • Molecular FormulaC44H38O14
  • Average mass790.764 Da
  • Monoisotopic mass790.226135 Da
  • ChemSpider ID23337418

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

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

I271P23G24 [DBID]
UNII:I271P23G24 [DBID]
UNII-I271P23G24 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 1039.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 157.3±3.0 kJ/mol
    Flash Point: 317.0±27.8 °C
    Index of Refraction: 1.705
    Molar Refractivity: 206.6±0.4 cm3
    #H bond acceptors: 14
    #H bond donors: 3
    #Freely Rotating Bonds: 15
    #Rule of 5 Violations: 3
    ACD/LogP: 9.15
    ACD/LogD (pH 5.5): 8.04
    ACD/BCF (pH 5.5): 757105.00
    ACD/KOC (pH 5.5): 557148.81
    ACD/LogD (pH 7.4): 7.43
    ACD/BCF (pH 7.4): 186124.48
    ACD/KOC (pH 7.4): 136967.84
    Polar Surface Area: 194 Å2
    Polarizability: 81.9±0.5 10-24cm3
    Surface Tension: 77.7±5.0 dyne/cm
    Molar Volume: 532.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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