ChemSpider 2D Image | (S)-23-hydroxybudesonide | C25H34O7

(S)-23-hydroxybudesonide

  • Molecular FormulaC25H34O7
  • Average mass446.533 Da
  • Monoisotopic mass446.230438 Da
  • ChemSpider ID52084206

  • 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)-5-Hydroxy-6b-(2-hydroxyacétyl)-8-[(1S)-1-hydroxypropyl]-4a,6a-diméthyl-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)-6b-Glycoloyl-5-hydroxy-8-[(1S)-1-hydroxypropyl]-4a,6a-dimethyl-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)-6b-Glycoloyl-5-hydroxy-8-[(1S)-1-hydroxypropyl]-4a,6a-dimethyl-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]
(S)-23-hydroxybudesonide
1453293-96-3 [RN]
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-hydroxy-6b-(2-hydroxyacetyl)-8-[(1S)-1-hydroxypropyl]-4a,6a-dimethyl-, (4aR,4bS,5S,6aS,6bS,9aR,10a S,10bS)- [ACD/Index Name]
23-HYDROXYBUDESONIDE, (S)-

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

Q7WC903HVT [DBID]
UNII:Q7WC903HVT [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: 638.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.0±6.0 kJ/mol
Flash Point: 215.6±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: 2.72
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.60
ACD/KOC (pH 5.5): 448.89
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.60
ACD/KOC (pH 7.4): 448.89
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

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