ChemSpider 2D Image | 3,5-Di-O-acetyl-1-O-[(5beta,8alpha,9beta,10alpha)-18-oxokaur-16-en-18-yl]-beta-L-arabinofuranose | C29H42O8

3,5-Di-O-acetyl-1-O-[(5β,8α,9β,10α)-18-oxokaur-16-en-18-yl]-β-L-arabinofuranose

  • Molecular FormulaC29H42O8
  • Average mass518.639 Da
  • Monoisotopic mass518.287964 Da
  • ChemSpider ID28532968

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

3,5-Di-O-acetyl-1-O-[(5β,8α,9β,10α)-18-oxokaur-16-en-18-yl]-β-L-arabinofuranose [German] [ACD/IUPAC Name]
3,5-Di-O-acetyl-1-O-[(5β,8α,9β,10α)-18-oxokaur-16-en-18-yl]-β-L-arabinofuranose [ACD/IUPAC Name]
3,5-Di-O-acétyl-1-O-[(5β,8α,9β,10α)-18-oxokaur-16-én-18-yl]-β-L-arabinofuranose [French] [ACD/IUPAC Name]
18-β-L-3',5'-diacetoxy-arabinofuranosyl-ent-kaur-16-ene
  • Miscellaneous

    • Chemical Class:

      An <ital>ent</ital>-kaurane diterpenoid that is <ital>ent-</ital>kaur-16-en-18-oic acid substituted by a <stereo>beta</stereo>-<stereo>L</stereo>-3',5'-diacetoxy-arabinofuranosyl moiety at position 18 via a glycosidic linkage. It is isolated from the whole herb of <ital>Sagittaria pygmaea</ital> and exhibits antibacterial activity against the oral pathogens. ChEBI CHEBI:65753
      An ent-kaurane diterpenoid that is ent-kaur-16-en-18-oic acid substituted by a beta-L-3',5'-diacetoxy-arabinofuranosyl moiety at position 18 via a glycosidic linkage. It is isolated from the whole her b of Sagittaria pygmaea and exhibits antibacterial activity against the oral pathogens. ChEBI CHEBI:65753

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

Density: 1.2±0.1 g/cm3
Boiling Point: 593.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.6±6.0 kJ/mol
Flash Point: 186.3±23.6 °C
Index of Refraction: 1.550
Molar Refractivity: 134.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 5.80
ACD/BCF (pH 5.5): 15074.62
ACD/KOC (pH 5.5): 34070.32
ACD/LogD (pH 7.4): 5.80
ACD/BCF (pH 7.4): 15074.46
ACD/KOC (pH 7.4): 34069.95
Polar Surface Area: 108 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 421.6±5.0 cm3

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