Found 7 results

Search term: MF = 'C_{30}H_{50}O_{3}S'
ChemSpider 2D Image | (3beta,8xi,9xi,14xi,22E)-Stigmasta-5,22-dien-3-yl methanesulfonate | C30H50O3S

(3β,8ξ,9ξ,14ξ,22E)-Stigmasta-5,22-dien-3-yl methanesulfonate

  • Molecular FormulaC30H50O3S
  • Average mass490.781 Da
  • Monoisotopic mass490.348053 Da
  • ChemSpider ID30991423

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 9 defined stereocentres

More details:

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

(3β,8ξ,9ξ,14ξ,22E)-Stigmasta-5,22-dien-3-yl methanesulfonate [ACD/IUPAC Name]
(3β,8ξ,9ξ,14ξ,22E)-Stigmasta-5,22-dien-3-yl-methansulfonat [German] [ACD/IUPAC Name]
Méthanesulfonate de (3β,8ξ,9ξ,14ξ,22E)-stigmasta-5,22-dién-3-yle [French] [ACD/IUPAC Name]
Stigmasta-5,22-dien-3-ol, methanesulfonate, (3β,8ξ,9ξ,14ξ,22E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 578.0±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 303.3±21.8 °C
Index of Refraction: 1.531
Molar Refractivity: 142.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 10.39
ACD/LogD (pH 5.5): 9.40
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3088326.50
ACD/LogD (pH 7.4): 9.40
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3088326.50
Polar Surface Area: 52 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 40.2±5.0 dyne/cm
Molar Volume: 461.4±5.0 cm3

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