ChemSpider 2D Image | 3-[(6-Deoxy-3,4-O-isopropylidene-3,4-di-C-methyl-beta-D-galactopyranosyl)oxy]-5,9,18-trimethylurs-12-ene-27,28-dioic acid | C44H70O9

3-[(6-Deoxy-3,4-O-isopropylidene-3,4-di-C-methyl-β-D-galactopyranosyl)oxy]-5,9,18-trimethylurs-12-ene-27,28-dioic acid

  • Molecular FormulaC44H70O9
  • Average mass743.021 Da
  • Monoisotopic mass742.502014 Da
  • ChemSpider ID57426035

  • defined stereocentres - 14 of 15 defined stereocentres

More details:

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

3-[(6-Deoxy-3,4-O-isopropylidene-3,4-di-C-methyl-β-D-galactopyranosyl)oxy]-5,9,18-trimethylurs-12-ene-27,28-dioic acid [ACD/IUPAC Name]
3-[(6-Desoxy-3,4-O-isopropyliden-3,4-di-C-methyl-β-D-galactopyranosyl)oxy]-5,9,18-trimethylurs-12-en-27,28-disäure [German] [ACD/IUPAC Name]
Acide 3-[(6-désoxy-3,4-O-isopropylidène-3,4-di-C-méthyl-β-D-galactopyranosyl)oxy]-5,9,18-triméthylurs-12-ène-27,28-dioïque [French] [ACD/IUPAC Name]
Urs-12-ene-27,28-dioic acid, 3-[[6-deoxy-3,4-di-C-methyl-3,4-O-(1-methylethylidene)-β-D-galactopyranosyl]oxy]-5,9,18-trimethyl- [ACD/Index Name]
182132-59-8 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 762.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.6±6.0 kJ/mol
Flash Point: 216.7±26.4 °C
Index of Refraction: 1.565
Molar Refractivity: 202.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 12.18
ACD/LogD (pH 5.5): 9.14
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 246421.63
ACD/LogD (pH 7.4): 6.55
ACD/BCF (pH 7.4): 4142.14
ACD/KOC (pH 7.4): 623.78
Polar Surface Area: 132 Å2
Polarizability: 80.4±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 622.7±5.0 cm3

Click to predict properties on the Chemicalize site


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