ChemSpider 2D Image | 6,7-dihydroplatenismycin | C24H29NO7

6,7-dihydroplatenismycin

  • Molecular FormulaC24H29NO7
  • Average mass443.490 Da
  • Monoisotopic mass443.194397 Da
  • ChemSpider ID64871205

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

3-({3-[(1S,5S,7S,9S,10S)-5,9-Dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-5-yl]propanoyl}amino)-2,4-dihydroxybenzoesäure [German] [ACD/IUPAC Name]
3-({3-[(1S,5S,7S,9S,10S)-5,9-Dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-5-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid [ACD/IUPAC Name]
6,7-dihydroplatenismycin
Acide 3-({3-[(1S,5S,7S,9S,10S)-5,9-diméthyl-4-oxo-8-oxatétracyclo[7.2.1.17,10.01,6]tridéc-5-yl]propanoyl}amino)-2,4-dihydroxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2,4-dihydroxy-3-[[3-[(1S,3S,4S,5aS,9S)-octahydro-3,9-dimethyl-8-oxo-3H-1,4:3,5a-dimethano-2-benzoxepin-9-yl]-1-oxopropyl]amino]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 672.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 360.4±31.5 °C
Index of Refraction: 1.652
Molar Refractivity: 112.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.75
ACD/LogD (pH 7.4): 0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 73.9±5.0 dyne/cm
Molar Volume: 306.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement