ChemSpider 2D Image | papyriferic acid | C35H56O8

papyriferic acid

  • Molecular FormulaC35H56O8
  • Average mass604.814 Da
  • Monoisotopic mass604.397522 Da
  • ChemSpider ID390296

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

3-{[(3α,12β,24R)-12-(acetyloxy)-25-hydroxy-20,24-epoxydammaran-3-yl]oxy}-3-oxopropanoic acid
3-{[(3α,12β,24R)-12-Acetoxy-25-hydroxy-20,24-epoxydammaran-3-yl]oxy}-3-oxopropanoic acid [ACD/IUPAC Name]
3-{[(3α,12β,24R)-12-Acetoxy-25-hydroxy-20,24-epoxydammaran-3-yl]oxy}-3-oxopropansäure [German] [ACD/IUPAC Name]
78782-15-7 [RN]
Acide 3-{[(3α,12β,24R)-12-acétoxy-25-hydroxy-20,24-époxydammaran-3-yl]oxy}-3-oxopropanoïque [French] [ACD/IUPAC Name]
papyriferic acid
Propanedioic acid, mono[(3α,12β,24R)-12-(acetyloxy)-20,24-epoxy-25-hydroxydammaran-3-yl] ester [ACD/Index Name]

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

C08632 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 658.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.0±6.0 kJ/mol
Flash Point: 195.8±25.0 °C
Index of Refraction: 1.543
Molar Refractivity: 162.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.46
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 215.16
ACD/KOC (pH 5.5): 275.19
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 22.33
ACD/KOC (pH 7.4): 28.57
Polar Surface Area: 119 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 515.2±5.0 cm3

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