ChemSpider 2D Image | 4-[3-(4-Hydroxy-5-isopropyl-2-methylphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]-2-isopropyl-5-methylphenyl dihydrogen phosphate | C27H31O8PS

4-[3-(4-Hydroxy-5-isopropyl-2-methylphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]-2-isopropyl-5-methylphenyl dihydrogen phosphate

  • Molecular FormulaC27H31O8PS
  • Average mass546.569 Da
  • Monoisotopic mass546.147705 Da
  • ChemSpider ID166357

More details:






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

4-[3-(4-Hydroxy-5-isopropyl-2-methylphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]-2-isopropyl-5-methylphenyl dihydrogen phosphate [ACD/IUPAC Name]
4-[3-(4-Hydroxy-5-isopropyl-2-methylphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]-2-isopropyl-5-methylphenyldihydrogenphosphat [German] [ACD/IUPAC Name]
Dihydrogénophosphate de 4-[3-(4-hydroxy-5-isopropyl-2-méthylphényl)-1,1-dioxydo-3H-2,1-benzoxathiol-3-yl]-2-isopropyl-5-méthylphényle [French] [ACD/IUPAC Name]
Phenol, 4-[3-[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]-5-methyl-2-(1-methylethyl)-, 1-(dihydrogen phosphate) [ACD/Index Name]
4-{3-[4-HYDROXY-2-METHYL-5-(PROPAN-2-YL)PHENYL]-1,1-DIOXIDO-3H-2,1-BENZOXATHIOL-3-YL}-5-METHYL-2-(PROPAN-2-YL)PHENYL DIHYDROGEN PHOSPHATE
60904-21-4 [RN]
6641-74-3 [RN]
Phenol, 4-(3-(4-hydroxy-2-methyl-5-(1-methylethyl)phenyl)-3H-2,1-benzoxathiol-3-yl)-5-methyl-2-(1-methylethyl)-, 1-(dihydrogen phosphate), S,S-dioxide
thymol blue monophosphate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 674.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 361.6±34.3 °C
Index of Refraction: 1.612
Molar Refractivity: 139.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.68
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 57.7±3.0 dyne/cm
Molar Volume: 400.7±3.0 cm3

Click to predict properties on the Chemicalize site






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