ChemSpider 2D Image | 6?-hydroxybudesonide | C25H34O7

6?-hydroxybudesonide

  • Molecular FormulaC25H34O7
  • Average mass446.533 Da
  • Monoisotopic mass446.230438 Da
  • ChemSpider ID23936271

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS,12S)-5,12-Dihydroxy-6b-(2-hydroxyacétyl)-4a,6a-diméthyl-8-propyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodécahydro-2H-naphto[2',1':4,5]indéno[1,2-d][1,3]dioxol-2-one [French] [ACD/IUPAC Name]
(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS,12S)-6b-Glycoloyl-5,12-dihydroxy-4a,6a-dimethyl-8-propyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-on [German] [ACD/IUPAC Name]
(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS,12S)-6b-Glycoloyl-5,12-dihydroxy-4a,6a-dimethyl-8-propyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one [ACD/IUPAC Name]
2H-Naphth[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, 4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-5,12-dihydroxy-6b-(2-hydroxyacetyl)-4a,6a-dimethyl-8-propyl-, (4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS,12S) - [ACD/Index Name]
577777-51-6 [RN]
6?-hydroxybudesonide
(4bS,5S,6aS,6bS,9aR,10aS,10bS,12S)-5,12-Dihydroxy-6b-(hydroxyacetyl)-4a,6a-dimethyl-8-propyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one
(6a,11b,16a, 17a)-16,17-[Butylidenebis(oxy)]-6,11,21-trihydroxypregna-1,4-diene-3,20-dione
6&α
6??-Hydroxy Budesonide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

FS0TQI5AVI [DBID]
UNII:FS0TQI5AVI [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 641.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.5±6.0 kJ/mol
Flash Point: 216.8±25.0 °C
Index of Refraction: 1.607
Molar Refractivity: 115.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.57
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 14.15
ACD/KOC (pH 5.5): 231.94
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 14.15
ACD/KOC (pH 7.4): 231.94
Polar Surface Area: 113 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 60.5±5.0 dyne/cm
Molar Volume: 334.3±5.0 cm3

Click to predict properties on the Chemicalize site


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