Found 14 results

Search term: MF = 'C_{39}H_{60}O_{9}'
ChemSpider 2D Image | (3alpha,5beta,8alpha,9beta,10alpha,14beta,17alpha,18alpha,19alpha,20beta)-3-[(6-Deoxy-3,4-O-isopropylidene-beta-L-galactopyranosyl)oxy]urs-12-ene-27,28-dioic acid | C39H60O9

(3α,5β,8α,9β,10α,14β,17α,18α,19α,20β)-3-[(6-Deoxy-3,4-O-isopropylidene-β-L-galactopyranosyl)oxy]urs-12-ene-27,28-dioic acid

  • Molecular FormulaC39H60O9
  • Average mass672.888 Da
  • Monoisotopic mass672.423706 Da
  • ChemSpider ID113601156

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(3α,5β,8α,9β,10α,14β,17α,18α,19α,20β)-3-[(6-Deoxy-3,4-O-isopropylidene-β-L-galactopyranosyl)oxy]urs-12-ene-27,28-dioic acid [ACD/IUPAC Name]
(3α,5β,8α,9β,10α,14β,17α,18α,19α,20β)-3-[(6-Desoxy-3,4-O-isopropyliden-β-L-galactopyranosyl)oxy]urs-12-en-27,28-disäure [German] [ACD/IUPAC Name]
Acide (3α,5β,8α,9β,10α,14β,17α,18α,19α,20β)-3-[(6-désoxy-3,4-O-isopropylidène-β-L-galactopyranosyl)oxy]urs-12-ène-27,28-dioïque [French] [ACD/IUPAC Name]
Urs-12-ene-27,28-dioic acid, 3-[[6-deoxy-3,4-O-(1-methylethylidene)-β-L-galactopyranosyl]oxy]-, (3α,5β,8α,9β,10α,14β,17α,18α,19α,20β)- [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: 760.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.3±6.0 kJ/mol
Flash Point: 227.0±26.4 °C
Index of Refraction: 1.575
Molar Refractivity: 179.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 9.79
ACD/LogD (pH 5.5): 7.09
ACD/BCF (pH 5.5): 44525.68
ACD/KOC (pH 5.5): 18259.00
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 121.03
ACD/KOC (pH 7.4): 49.63
Polar Surface Area: 132 Å2
Polarizability: 71.2±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 543.7±5.0 cm3

Click to predict properties on the Chemicalize site


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