ChemSpider 2D Image | (2alpha,3beta)-2,3,19-Trihydroxy-23-(sulfooxy)urs-12-en-28-oic acid | C30H48O9S

(2α,3β)-2,3,19-Trihydroxy-23-(sulfooxy)urs-12-en-28-oic acid

  • Molecular FormulaC30H48O9S
  • Average mass584.762 Da
  • Monoisotopic mass584.301880 Da
  • ChemSpider ID24676374
  • defined stereocentres - 12 of 12 defined stereocentres


More details:






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

(2α,3β)-2,3,19-Trihydroxy-23-(sulfooxy)urs-12-en-28-oic acid [ACD/IUPAC Name]
(2α,3β)-2,3,19-Trihydroxy-23-(sulfooxy)urs-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (2α,3β)-2,3,19-trihydroxy-23-(sulfooxy)urs-12-én-28-oïque [French] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 2,3,19-trihydroxy-23-(sulfooxy)-, (2α,3β)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.604
Molar Refractivity: 148.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 4.94
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 170 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 432.6±5.0 cm3

Click to predict properties on the Chemicalize site






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