Found 2 results

Search term: APOQVDLDAYHVEN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (7R)-2,2-Dimethyl-5-[(4-methylphenyl)sulfonyl]-4,4a,5,6,7,8a-hexahydro-3aH-[1,3]dioxolo[4,5-f]indol-7-yl pivalate | C23H31NO6S

(7R)-2,2-Dimethyl-5-[(4-methylphenyl)sulfonyl]-4,4a,5,6,7,8a-hexahydro-3aH-[1,3]dioxolo[4,5-f]indol-7-yl pivalate

  • Molecular FormulaC23H31NO6S
  • Average mass449.560 Da
  • Monoisotopic mass449.187195 Da
  • ChemSpider ID30651134

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

(7R)-2,2-Dimethyl-5-[(4-methylphenyl)sulfonyl]-4,4a,5,6,7,8a-hexahydro-3aH-[1,3]dioxolo[4,5-f]indol-7-yl pivalate [ACD/IUPAC Name]
(7R)-2,2-Dimethyl-5-[(4-methylphenyl)sulfonyl]-4,4a,5,6,7,8a-hexahydro-3aH-[1,3]dioxolo[4,5-f]indol-7-ylpivalat [German] [ACD/IUPAC Name]
Pivalate de (7R)-2,2-diméthyl-5-[(4-méthylphényl)sulfonyl]-4,4a,5,6,7,8a-hexahydro-3aH-[1,3]dioxolo[4,5-f]indol-7-yle [French] [ACD/IUPAC Name]
Propanoic acid, 2,2-dimethyl-, (7R)-3a,4a,5,6,7,8a-hexahydro-2,2-dimethyl-5-[(4-methylphenyl)sulfonyl]-4H-1,3-dioxolo[4,5-f]indol-7-yl ester [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: 555.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 289.9±32.9 °C
Index of Refraction: 1.587
Molar Refractivity: 117.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1148.91
ACD/KOC (pH 5.5): 5397.00
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1148.91
ACD/KOC (pH 7.4): 5397.00
Polar Surface Area: 91 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 348.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement