ChemSpider 2D Image | (6Z,10E)-5-Hydroxy-6,9,9,13,20-pentamethyl-21-oxo-14,16,19,22-tetraoxapentacyclo[13.5.1.1~1,17~.0~3,13~.0~18,20~]docosa-6,10-diene-17-carboxylic acid | C24H32O8

(6Z,10E)-5-Hydroxy-6,9,9,13,20-pentamethyl-21-oxo-14,16,19,22-tetraoxapentacyclo[13.5.1.11,17.03,13.018,20]docosa-6,10-diene-17-carboxylic acid

  • Molecular FormulaC24H32O8
  • Average mass448.506 Da
  • Monoisotopic mass448.209717 Da
  • ChemSpider ID77484169

  • Double-bond stereo - Double-bond stereo

More details:

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

(6Z,10E)-5-Hydroxy-6,9,9,13,20-pentamethyl-21-oxo-14,16,19,22-tetraoxapentacyclo[13.5.1.11,17.03,13.018,20]docosa-6,10-dien-17-carbonsäure [German] [ACD/IUPAC Name]
(6Z,10E)-5-Hydroxy-6,9,9,13,20-pentamethyl-21-oxo-14,16,19,22-tetraoxapentacyclo[13.5.1.11,17.03,13.018,20]docosa-6,10-diene-17-carboxylic acid [ACD/IUPAC Name]
2H-2,16-Epoxy-4,16-methanocycloundec[d]oxireno[h][1,3]dioxecin-2-carboxylic acid, 1a,5a,6,9,10,13,14,14a,15,16a-decahydro-13-hydroxy-5a,9,9,12,16a-pentamethyl-17-oxo-, (7E,11Z)- [ACD/Index Name]
Acide (6Z,10E)-5-hydroxy-6,9,9,13,20-pentaméthyl-21-oxo-14,16,19,22-tétraoxapentacyclo[13.5.1.11,17.03,13.018,20]docosa-6,10-diène-17-carboxylique [French] [ACD/IUPAC Name]
(6Z,10E)-5-hydroxy-6,9,9,13,20-pentamethyl-21-oxo-14,16,19,22-tetraoxapentacyclo[13.5.1.11,17.03,13.018,20]docosa-6,10-diene-17-carboxylic acid
Compound NP-019519

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

Density: 1.4±0.1 g/cm3
Boiling Point: 601.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.7±6.0 kJ/mol
Flash Point: 203.0±25.0 °C
Index of Refraction: 1.595
Molar Refractivity: 112.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 7.26
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 1.83
ACD/KOC (pH 5.5): 5.18
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 1.22
ACD/KOC (pH 7.4): 3.45
Polar Surface Area: 115 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 331.9±5.0 cm3

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