ChemSpider 2D Image | 2,4-Dihydroxy-3-{[3-(13-hydroxy-3,10-dimethyl-4-oxo-11-oxapentacyclo[7.2.1.1~7,10~.0~1,9~.0~2,7~]tridec-5-en-3-yl)propanoyl]amino}benzoic acid | C24H25NO8

2,4-Dihydroxy-3-{[3-(13-hydroxy-3,10-dimethyl-4-oxo-11-oxapentacyclo[7.2.1.17,10.01,9.02,7]tridec-5-en-3-yl)propanoyl]amino}benzoic acid

  • Molecular FormulaC24H25NO8
  • Average mass455.457 Da
  • Monoisotopic mass455.158020 Da
  • ChemSpider ID26325965

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

2,4-Dihydroxy-3-{[3-(13-hydroxy-3,10-dimethyl-4-oxo-11-oxapentacyclo[7.2.1.17,10.01,9.02,7]tridec-5-en-3-yl)propanoyl]amino}benzoesäure [German] [ACD/IUPAC Name]
2,4-Dihydroxy-3-{[3-(13-hydroxy-3,10-dimethyl-4-oxo-11-oxapentacyclo[7.2.1.17,10.01,9.02,7]tridec-5-en-3-yl)propanoyl]amino}benzoic acid [ACD/IUPAC Name]
Acide 2,4-dihydroxy-3-{[3-(13-hydroxy-3,10-diméthyl-4-oxo-11-oxapentacyclo[7.2.1.17,10.01,9.02,7]tridéc-5-én-3-yl)propanoyl]amino}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[3-(7,7a-dihydro-9-hydroxy-2,7-dimethyl-6-oxo-2H,3H,6H-2,3a:2a,7b-dimethanoindeno[1,2-b]oxet-7-yl)-1-oxopropyl]amino]-2,4-dihydroxy- [ACD/Index Name]
platensimycin A1

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

840 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 755.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.5±3.0 kJ/mol
Flash Point: 410.7±32.9 °C
Index of Refraction: 1.733
Molar Refractivity: 111.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.48
ACD/LogD (pH 5.5): -1.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 153 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 94.5±5.0 dyne/cm
Molar Volume: 278.8±5.0 cm3

Click to predict properties on the Chemicalize site


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