Found 57 results

Search term: MF = 'C_{47}H_{76}O_{16}'
ChemSpider 2D Image | (3alpha,5beta,8alpha,9beta,10alpha,14beta,17alpha,18alpha)-3-{[6-Deoxy-alpha-D-mannopyranosyl-(1->2)-beta-L-glucopyranosyl-(1->2)-alpha-D-arabinopyranosyl]oxy}olean-12-en-28-oic acid | C47H76O16

(3α,5β,8α,9β,10α,14β,17α,18α)-3-{[6-Deoxy-α-D-mannopyranosyl-(1->2)-β-L-glucopyranosyl-(1->2)-α-D-arabinopyranosyl]oxy}olean-12-en-28-oic acid

  • Molecular FormulaC47H76O16
  • Average mass897.097 Da
  • Monoisotopic mass896.513306 Da
  • ChemSpider ID82964562

  • defined stereocentres - 22 of 22 defined stereocentres

More details:

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

(3α,5β,8α,9β,10α,14β,17α,18α)-3-{[6-Deoxy-α-D-mannopyranosyl-(1->2)-β-L-glucopyranosyl-(1->2)-α-D-arabinopyranosyl]oxy}olean-12-en-28-oic acid [ACD/IUPAC Name]
(3α,5β,8α,9β,10α,14β,17α,18α)-3-{[6-Desoxy-α-D-mannopyranosyl-(1->2)-β-L-glucopyranosyl-(1->2)-α-D-arabinopyranosyl]oxy}olean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (3α,5β,8α,9β,10α,14β,17α,18α)-3-{[6-désoxy-α-D-mannopyranosyl-(1->2)-β-L-glucopyranosyl-(1->2)-α-D-arabinopyranosyl]oxy}oléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-[[O-6-deoxy-α-D-mannopyranosyl-(1->2)-O-β-L-glucopyranosyl-(1->;2)-α-D-arabinopyranosyl]oxy]-, (3α,5β,8α,9β,10α,14β,17α,18α)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 967.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 159.7±6.0 kJ/mol
Flash Point: 276.2±27.8 °C
Index of Refraction: 1.610
Molar Refractivity: 227.1±0.4 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 10.11
ACD/LogD (pH 5.5): 5.86
ACD/BCF (pH 5.5): 10123.81
ACD/KOC (pH 5.5): 14040.06
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 159.49
ACD/KOC (pH 7.4): 221.19
Polar Surface Area: 255 Å2
Polarizability: 90.0±0.5 10-24cm3
Surface Tension: 68.3±5.0 dyne/cm
Molar Volume: 654.9±5.0 cm3

Click to predict properties on the Chemicalize site


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