ChemSpider 2D Image | monalbidin C | C27H42O7

monalbidin C

  • Molecular FormulaC27H42O7
  • Average mass478.618 Da
  • Monoisotopic mass478.293060 Da
  • ChemSpider ID106863985

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3R,5R)-3-Acétoxy-7-[(1S,2S,6R,8S,8aR)-2,6-diméthyl-8-{[(2S)-2-méthylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydro-1-naphtalényl]-5-hydroxyheptanoate de méthyle [French] [ACD/IUPAC Name]
1-Naphthaleneheptanoic acid, β-(acetyloxy)-1,2,6,7,8,8a-hexahydro-δ-hydroxy-2,6-dimethyl-8-[(2S)-2-methyl-1-oxobutoxy]-, methyl ester, (βR,δR,1S,2S,6R,8S,8aR)- [ACD/Index Name]
Methyl (3R,5R)-3-acetoxy-7-[(1S,2S,6R,8S,8aR)-2,6-dimethyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydro-1-naphthalenyl]-5-hydroxyheptanoate [ACD/IUPAC Name]
Methyl-(3R,5R)-3-acetoxy-7-[(1S,2S,6R,8S,8aR)-2,6-dimethyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydro-1-naphthalinyl]-5-hydroxyheptanoat [German] [ACD/IUPAC Name]
monalbidin C

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

Density: 1.1±0.1 g/cm3
Boiling Point: 519.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.1±6.0 kJ/mol
Flash Point: 157.2±23.6 °C
Index of Refraction: 1.513
Molar Refractivity: 129.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 5.12
ACD/BCF (pH 5.5): 4550.45
ACD/KOC (pH 5.5): 14455.34
ACD/LogD (pH 7.4): 5.12
ACD/BCF (pH 7.4): 4550.45
ACD/KOC (pH 7.4): 14455.34
Polar Surface Area: 99 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 430.6±5.0 cm3

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