ChemSpider 2D Image | (4S)-4-{(2R,2'R)-5,5'-Dihydroxy-2,2'-bis(methoxycarbonyl)-7,7'-dimethyl-4,4'-dioxo-2'-[(2S)-5-oxotetrahydro-2-furanyl]-3,3',4,4'-tetrahydro-2H,2'H-8,8'-bichromen-2-yl}-4-hydroxybutanoic acid | C32H32O15

(4S)-4-{(2R,2'R)-5,5'-Dihydroxy-2,2'-bis(methoxycarbonyl)-7,7'-dimethyl-4,4'-dioxo-2'-[(2S)-5-oxotetrahydro-2-furanyl]-3,3',4,4'-tetrahydro-2H,2'H-8,8'-bichromen-2-yl}-4-hydroxybutanoic acid

  • Molecular FormulaC32H32O15
  • Average mass656.588 Da
  • Monoisotopic mass656.174133 Da
  • ChemSpider ID78438421
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(4S)-4-{(2R,2'R)-5,5'-Dihydroxy-2,2'-bis(methoxycarbonyl)-7,7'-dimethyl-4,4'-dioxo-2'-[(2S)-5-oxotetrahydro-2-furanyl]-3,3',4,4'-tetrahydro-2H,2'H-8,8'-bichromen-2-yl}-4-hydroxybutanoic acid [ACD/IUPAC Name]
(4S)-4-{(2R,2'R)-5,5'-Dihydroxy-2,2'-bis(methoxycarbonyl)-7,7'-dimethyl-4,4'-dioxo-2'-[(2S)-5-oxotetrahydro-2-furanyl]-3,3',4,4'-tetrahydro-2H,2'H-8,8'-bichromen-2-yl}-4-hydroxybutansäure [German] [ACD/IUPAC Name]
[8,8'-Bi-2H-1-benzopyran]-2,2'-dicarboxylic acid, 2-[(1S)-3-carboxy-1-hydroxypropyl]-3,3',4,4'-tetrahydro-5,5'-dihydroxy-7,7'-dimethyl-4,4'-dioxo-2'-[(2S)-tetrahydro-5-oxo-2-furanyl]-, 2,2'-dimethyl e ster, (2R,2'R)- [ACD/Index Name]
Acide (4S)-4-{(2R,2'R)-5,5'-dihydroxy-2,2'-bis(méthoxycarbonyl)-7,7'-diméthyl-4,4'-dioxo-2'-[(2S)-5-oxotétrahydro-2-furanyl]-3,3',4,4'-tétrahydro-2H,2'H-8,8'-bichromén-2-yl}-4-hydroxybutanoïque [French] [ACD/IUPAC Name]
Gonytolide F

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

Density: 1.5±0.1 g/cm3
Boiling Point: 940.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.3±3.0 kJ/mol
Flash Point: 302.8±27.8 °C
Index of Refraction: 1.623
Molar Refractivity: 153.6±0.3 cm3
#H bond acceptors: 15
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 12.19
ACD/KOC (pH 5.5): 106.08
ACD/LogD (pH 7.4): -0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 229 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 71.2±3.0 dyne/cm
Molar Volume: 435.6±3.0 cm3

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