ChemSpider 2D Image | (4S)-3-(2-Hydroxyphenyl)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]-5-[(2R)-tetrahydro-2-furanylmethyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one | C28H33N3O5

(4S)-3-(2-Hydroxyphenyl)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]-5-[(2R)-tetrahydro-2-furanylmethyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one

  • Molecular FormulaC28H33N3O5
  • Average mass491.579 Da
  • Monoisotopic mass491.242035 Da
  • ChemSpider ID62692854

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-3-(2-Hydroxyphenyl)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]-5-[(2R)-tetrahydro-2-furanylmethyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-on [German] [ACD/IUPAC Name]
(4S)-3-(2-Hydroxyphenyl)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]-5-[(2R)-tetrahydro-2-furanylmethyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one [ACD/IUPAC Name]
(4S)-3-(2-Hydroxyphényl)-4-[3-méthoxy-4-(3-méthylbutoxy)phényl]-5-[(2R)-tétrahydro-2-furanylméthyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one [French] [ACD/IUPAC Name]
(4S)-3-(2-Hydroxyphenyl)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]-5-[(2R)-tetrahydro-2-furanylmethyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-on [German] [ACD/IUPAC Name]
(4S)-3-(2-Hydroxyphenyl)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]-5-[(2R)-tetrahydro-2-furanylmethyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one [ACD/IUPAC Name]
(4S)-3-(2-Hydroxyphényl)-4-[3-méthoxy-4-(3-méthylbutoxy)phényl]-5-[(2R)-tétrahydro-2-furanylméthyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one [French] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrazol-6(1H)-one, 4,5-dihydro-3-(2-hydroxyphenyl)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]-5-[[(2R)-tetrahydro-2-furanyl]methyl]-, (4S)- [ACD/Index Name]
Pyrrolo[3,4-c]pyrazol-6(2H)-one, 4,5-dihydro-3-(2-hydroxyphenyl)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]-5-[[(2R)-tetrahydro-2-furanyl]methyl]-, (4S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 685.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 368.2±31.5 °C
Index of Refraction: 1.605
Molar Refractivity: 135.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 141.31
ACD/KOC (pH 5.5): 1204.16
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 139.74
ACD/KOC (pH 7.4): 1190.80
Polar Surface Area: 97 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 393.3±3.0 cm3

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