Found 5 results

Search term: YPYHGMCHNBTMDB (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3beta,5xi,15alpha,25R)-3,15-Dihydroxy-11,23-dioxolanost-8-en-26-oic acid | C30H46O6

(3β,5ξ,15α,25R)-3,15-Dihydroxy-11,23-dioxolanost-8-en-26-oic acid

  • Molecular FormulaC30H46O6
  • Average mass502.683 Da
  • Monoisotopic mass502.329437 Da
  • ChemSpider ID128938705

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(3β,5ξ,15α,25R)-3,15-Dihydroxy-11,23-dioxolanost-8-en-26-oic acid [ACD/IUPAC Name]
(3β,5ξ,15α,25R)-3,15-Dihydroxy-11,23-dioxolanost-8-en-26-säure [German] [ACD/IUPAC Name]
Acide (3β,5ξ,15α,25R)-3,15-dihydroxy-11,23-dioxolanost-8-én-26-oïque [French] [ACD/IUPAC Name]
Lanost-8-en-26-oic acid, 3,15-dihydroxy-11,23-dioxo-, (3β,5ξ,15α,25R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 655.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.5±6.0 kJ/mol
Flash Point: 364.0±28.0 °C
Index of Refraction: 1.559
Molar Refractivity: 137.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 67.34
ACD/KOC (pH 5.5): 420.32
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 1.08
ACD/KOC (pH 7.4): 6.74
Polar Surface Area: 112 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 424.8±5.0 cm3

Click to predict properties on the Chemicalize site


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