ChemSpider 2D Image | 16-alpha-D-mannopyranosyloxyisopimar-7-en-19-oic acid | C26H42O8

16-α-D-mannopyranosyloxyisopimar-7-en-19-oic acid

  • Molecular FormulaC26H42O8
  • Average mass482.607 Da
  • Monoisotopic mass482.287964 Da
  • ChemSpider ID30785560

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(13α)-16-(α-D-Mannopyranosyloxy)pimar-7-en-19-oic acid [ACD/IUPAC Name]
(13α)-16-(α-D-Mannopyranosyloxy)pimar-7-en-19-säure [German] [ACD/IUPAC Name]
1337958-77-6 [RN]
16-α-D-mannopyranosyloxyisopimar-7-en-19-oic acid
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-7-[2-(α-D-mannopyranosyloxy)ethyl]-1,4a,7-trimethyl-, (1S,4aR,4bS,7S,10aR)- [ACD/Index Name]
Acide (13α)-16-(α-D-mannopyranosyloxy)pimar-7-én-19-oïque [French] [ACD/IUPAC Name]
(13α)-16-(α-D-mannopyranosyloxy)pimara-7-en-19-oic acid
16-α-D-mannopyranosyloxyisopimar-7-en-19-oic acid
  • Miscellaneous

    • Chemical Class:

      A diterpene glycoside that is isopimar-7-en-19-oic acid attached to a <stereo>alpha</stereo>-<stereo>D</stereo>-mannopyranosyloxy residue at position 16. It has been isolated from the fungus, <ital>Xy laria</ital> species. ChEBI CHEBI:68085
      A diterpene glycoside that is isopimar-7-en-19-oic acid attached to a alpha-D-mannopyranosyloxy residue at position 16. It has been isolated from the fungus, Xy; laria species. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68085
      A diterpene glycoside that is isopimar-7-en-19-oic acid attached to a alpha-D-mannopyranosyloxy residue at position 16. It has been isolated from the fungus, Xylaria species. ChEBI CHEBI:68085

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

Density: 1.3±0.1 g/cm3
Boiling Point: 659.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.2±6.0 kJ/mol
Flash Point: 216.1±25.0 °C
Index of Refraction: 1.584
Molar Refractivity: 125.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 17.57
ACD/KOC (pH 5.5): 149.51
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.36
Polar Surface Area: 137 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 373.6±5.0 cm3

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