ChemSpider 2D Image | 2,4-Dihydroxy-3-({3-[(5S,11R)-11-hydroxy-5-methyl-9-methylene-4-oxotricyclo[6.2.2.0~1,6~]dodec-2-en-5-yl]propanoyl}amino)benzoic acid | C24H27NO7

2,4-Dihydroxy-3-({3-[(5S,11R)-11-hydroxy-5-methyl-9-methylene-4-oxotricyclo[6.2.2.01,6]dodec-2-en-5-yl]propanoyl}amino)benzoic acid

  • Molecular FormulaC24H27NO7
  • Average mass441.474 Da
  • Monoisotopic mass441.178741 Da
  • ChemSpider ID26343661

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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2,4-Dihydroxy-3-({3-[(5S,11R)-11-hydroxy-5-methyl-9-methylen-4-oxotricyclo[6.2.2.01,6]dodec-2-en-5-yl]propanoyl}amino)benzoesäure [German] [ACD/IUPAC Name]
2,4-Dihydroxy-3-({3-[(5S,11R)-11-hydroxy-5-methyl-9-methylene-4-oxotricyclo[6.2.2.01,6]dodec-2-en-5-yl]propanoyl}amino)benzoic acid [ACD/IUPAC Name]
Acide 2,4-dihydroxy-3-({3-[(5S,11R)-11-hydroxy-5-méthyl-9-méthylène-4-oxotricyclo[6.2.2.01,6]dodéc-2-én-5-yl]propanoyl}amino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[3-[(8S,9R)-1,3,4,7,8,8a-hexahydro-9-hydroxy-8-methyl-3-methylene-7-oxo-2H-2,4a-ethanonaphthalen-8-yl]-1-oxopropyl]amino]-2,4-dihydroxy- [ACD/Index Name]
platencin A1

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

Density: 1.4±0.1 g/cm3
Boiling Point: 713.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 385.6±32.9 °C
Index of Refraction: 1.667
Molar Refractivity: 113.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.49
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.36
Polar Surface Area: 144 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 76.7±5.0 dyne/cm
Molar Volume: 304.9±5.0 cm3

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