ChemSpider 2D Image | Methyl 4-({2-[(1R,2R,3R)-3-hydroxy-2-{(3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]-1-buten-1-yl}-5-oxocyclopentyl]ethyl}sulfanyl)butanoate | C24H34O6S

Methyl 4-({2-[(1R,2R,3R)-3-hydroxy-2-{(3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]-1-buten-1-yl}-5-oxocyclopentyl]ethyl}sulfanyl)butanoate

  • Molecular FormulaC24H34O6S
  • Average mass450.588 Da
  • Monoisotopic mass450.207611 Da
  • ChemSpider ID32700286

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

4-({2-[(1R,2R,3R)-3-Hydroxy-2-{(3S)-3-hydroxy-4-[3-(méthoxyméthyl)phényl]-1-butén-1-yl}-5-oxocyclopentyl]éthyl}sulfanyl)butanoate de méthyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[2-[(1R,2R,3R)-3-hydroxy-2-[(3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]-1-buten-1-yl]-5-oxocyclopentyl]ethyl]thio]-, methyl ester [ACD/Index Name]
Methyl 4-({2-[(1R,2R,3R)-3-hydroxy-2-{(3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]-1-buten-1-yl}-5-oxocyclopentyl]ethyl}sulfanyl)butanoate [ACD/IUPAC Name]
Methyl-4-({2-[(1R,2R,3R)-3-hydroxy-2-{(3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]-1-buten-1-yl}-5-oxocyclopentyl]ethyl}sulfanyl)butanoat [German] [ACD/IUPAC Name]
256382-08-8 [RN]
4-[[2R-[3R-hydroxy-2-[3S-hydroxy-4-[3-(methoxymethyl)phenyl]-1R-buten-1E-yl]-5-oxocyclopentyl]ethyl]thio]-butanoic acid, methyl ester
methyl 7-[(1r,2r,3r)-3-hydroxy-2-[(e)-(3s)-3-hydroxy-4-(m-methoxymethylphenyl)1-butenyl]-5-oxocyclopentyl]-5-thiaheptanoate
RIVENPROST

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

Density: 1.2±0.1 g/cm3
Boiling Point: 598.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 315.6±30.1 °C
Index of Refraction: 1.589
Molar Refractivity: 124.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.75
ACD/KOC (pH 5.5): 503.16
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.75
ACD/KOC (pH 7.4): 503.16
Polar Surface Area: 118 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 369.9±3.0 cm3

Click to predict properties on the Chemicalize site


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