ChemSpider 2D Image | Voruciclib | C22H19ClF3NO5

Voruciclib

  • Molecular FormulaC22H19ClF3NO5
  • Average mass469.838 Da
  • Monoisotopic mass469.090393 Da
  • ChemSpider ID29165867
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1000023-04-0 [RN]
2-[2-Chlor-4-(trifluormethyl)phenyl]-5,7-dihydroxy-8-[(2R,3S)-2-(hydroxymethyl)-1-methyl-3-pyrrolidinyl]-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-[2-Chloro-4-(trifluoromethyl)phenyl]-5,7-dihydroxy-8-[(2R,3S)-2-(hydroxymethyl)-1-methyl-3-pyrrolidinyl]-4H-chromen-4-one [ACD/IUPAC Name]
2-[2-Chloro-4-(trifluorométhyl)phényl]-5,7-dihydroxy-8-[(2R,3S)-2-(hydroxyméthyl)-1-méthyl-3-pyrrolidinyl]-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[2-chloro-4-(trifluoromethyl)phenyl]-5,7-dihydroxy-8-[(2R,3S)-2-(hydroxymethyl)-1-methyl-3-pyrrolidinyl]- [ACD/Index Name]
9791
Voruciclib [INN]
Voruciclib [Spanish] [INN]
Voruciclib [French] [INN]
Voruciclibum [Latin] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

W66XP666AM [DBID]
UNII:W66XP666AM [DBID]
UNII-W66XP666AM [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 587.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 309.2±30.1 °C
Index of Refraction: 1.609
Molar Refractivity: 109.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.59
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 1.63
ACD/KOC (pH 7.4): 9.61
Polar Surface Area: 90 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 314.7±3.0 cm3

Click to predict properties on the Chemicalize site






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