ChemSpider 2D Image | 4,4,8,17,17,21-Hexamethyl-14,23-dioxo-24,25-dioxahexacyclo[11.11.1.0~1,10~.0~3,8~.0~13,22~.0~16,21~]pentacosane-9-carboxylic acid | C30H44O6

4,4,8,17,17,21-Hexamethyl-14,23-dioxo-24,25-dioxahexacyclo[11.11.1.01,10.03,8.013,22.016,21]pentacosane-9-carboxylic acid

  • Molecular FormulaC30H44O6
  • Average mass500.667 Da
  • Monoisotopic mass500.313782 Da
  • ChemSpider ID235372

More details:






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

4,4,8,17,17,21-Hexamethyl-14,23-dioxo-24,25-dioxahexacyclo[11.11.1.01,10.03,8.013,22.016,21]pentacosan-9-carbonsäure [German] [ACD/IUPAC Name]
4,4,8,17,17,21-Hexamethyl-14,23-dioxo-24,25-dioxahexacyclo[11.11.1.01,10.03,8.013,22.016,21]pentacosane-9-carboxylic acid [ACD/IUPAC Name]
6a,14a-Epoxy-7H-dinaphth[2,3-b:2',1'-f]oxocin-9-carboxylic acid, eicosahydro-4,4,9a,13,13,16b-hexamethyl-6,16-dioxo- [ACD/Index Name]
Acide 4,4,8,17,17,21-hexaméthyl-14,23-dioxo-24,25-dioxahexacyclo[11.11.1.01,10.03,8.013,22.016,21]pentacosane-9-carboxylique [French] [ACD/IUPAC Name]
23983-77-9 [RN]
24127-30-8 [RN]
4,4,9A,13,13,16B-HEXAMETHYL-6,16-DIOXOICOSAHYDRO-7H-6A,14A-EPOXYDINAPHTHO[2,3-B:2',1'-F]OXOCINE-9-CARBOXYLIC ACID
OFFICINALIC ACID

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

NSC107454 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 640.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 103.2±6.0 kJ/mol
Flash Point: 205.3±25.0 °C
Index of Refraction: 1.564
Molar Refractivity: 134.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 6.39
ACD/LogD (pH 5.5): 5.47
ACD/BCF (pH 5.5): 4862.16
ACD/KOC (pH 5.5): 7890.12
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 76.43
ACD/KOC (pH 7.4): 124.02
Polar Surface Area: 90 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 411.8±5.0 cm3

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