ChemSpider 2D Image | DESONIDE PIVALATE | C29H40O7

DESONIDE PIVALATE

  • Molecular FormulaC29H40O7
  • Average mass500.624 Da
  • Monoisotopic mass500.277405 Da
  • ChemSpider ID34994426

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

2-[(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-Hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl pivalate [ACD/IUPAC Name]
2-[(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-Hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethylpivalat [German] [ACD/IUPAC Name]
78806-68-5 [RN]
DESONIDE PIVALATE
Pivalate de 2-[(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-hydroxy-4a,6a,8,8-tétraméthyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodécahydro-6bH-naphto[2',1':4,5]indéno[1,2-d][1,3]dioxol-6b-yl]-2-oxoéthyle [French] [ACD/IUPAC Name]
Propanoic acid, 2,2-dimethyl-, 2-[(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-6bH-naphth[2',1':4,5]indeno[1,2-d][1,3]dioxol- 6b-yl]-2-oxoethyl ester [ACD/Index Name]
11β,21-Dihydroxy-16α,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione 21-pivalate

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

UB3LO24HGK [DBID]
UNII:UB3LO24HGK [DBID]
UNII-UB3LO24HGK [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 612.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.2±6.0 kJ/mol
Flash Point: 195.4±25.0 °C
Index of Refraction: 1.567
Molar Refractivity: 132.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 4.56
ACD/BCF (pH 5.5): 1721.10
ACD/KOC (pH 5.5): 7207.54
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1721.10
ACD/KOC (pH 7.4): 7207.54
Polar Surface Area: 99 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 406.6±5.0 cm3

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