ChemSpider 2D Image | (13alpha)-16-[(2,3,4,6-Tetra-O-acetylhexopyranosyl)oxy]pimar-7-en-19-oic acid | C34H50O12

(13α)-16-[(2,3,4,6-Tetra-O-acetylhexopyranosyl)oxy]pimar-7-en-19-oic acid

  • Molecular FormulaC34H50O12
  • Average mass650.754 Da
  • Monoisotopic mass650.330200 Da
  • ChemSpider ID78445240
  • defined stereocentres - 5 of 10 defined stereocentres


More details:






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

(13α)-16-[(2,3,4,6-Tetra-O-acetylhexopyranosyl)oxy]pimar-7-en-19-oic acid [ACD/IUPAC Name]
(13α)-16-[(2,3,4,6-Tetra-O-acetylhexopyranosyl)oxy]pimar-7-en-19-säure [German] [ACD/IUPAC Name]
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a,7-trimethyl-7-[2-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]ethyl]-, (1S,4aR,4bS,7S,10aR)- [ACD/Index Name]
Acide (13α)-16-[(2,3,4,6-tétra-O-acétylhexopyranosyl)oxy]pimar-7-én-19-oïque [French] [ACD/IUPAC Name]
16-O-α-D-tetraacetylglucopyranosyl hymatoxin C

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

Density: 1.2±0.1 g/cm3
Boiling Point: 685.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 109.5±6.0 kJ/mol
Flash Point: 204.7±25.0 °C
Index of Refraction: 1.536
Molar Refractivity: 163.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 7.03
ACD/LogD (pH 5.5): 5.62
ACD/BCF (pH 5.5): 6681.54
ACD/KOC (pH 5.5): 10505.35
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 105.27
ACD/KOC (pH 7.4): 165.51
Polar Surface Area: 161 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 523.9±5.0 cm3

Click to predict properties on the Chemicalize site






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