ChemSpider 2D Image | platencin; PTN | C24H27NO6

platencin; PTN

  • Molecular FormulaC24H27NO6
  • Average mass425.474 Da
  • Monoisotopic mass425.183838 Da
  • ChemSpider ID21390705

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

2,4-Dihydroxy-3-({3-[(1S,5S,8S)-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-[(1S,5S,8S)-5-methyl-9-methylene-4-oxotricyclo[6.2.2.01,6]dodec-2-en-5-yl]propanoyl}amino)benzoic acid [ACD/IUPAC Name]
2,4-dihydroxy-3-({3-[(1S,5S,8S)-5-methyl-9-methylidene-4-oxotricyclo[6.2.2.01,6]dodec-2-en-5-yl]propanoyl}amino)benzoic acid
2,4-dihydroxy-3-({3-[(2S,4aS,8S)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid
Acide 2,4-dihydroxy-3-({3-[(1S,5S,8S)-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-[(2S,4aS,8S)-1,3,4,7,8,8a-hexahydro-8-methyl-3-methylene-7-oxo-2H-2,4a-ethanonaphthalen-8-yl]-1-oxopropyl]amino]-2,4-dihydroxy- [ACD/Index Name]
platencin; PTN
()-platencin
2,4-Dihydroxy-3-{3-[(2S,4aS,8S)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanamido}benzoic acid
869898-86-2 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 670.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 359.1±31.5 °C
Index of Refraction: 1.650
Molar Refractivity: 112.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 2.66
ACD/KOC (pH 5.5): 10.37
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 1.46
ACD/KOC (pH 7.4): 5.67
Polar Surface Area: 124 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 69.8±5.0 dyne/cm
Molar Volume: 307.0±5.0 cm3

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