ChemSpider 2D Image | (4E,9E,11E,13E,15E,19E)-7,8,17-Trihydroxy-4,9,11,13,15,19-docosahexaenoic acid | C22H32O5

(4E,9E,11E,13E,15E,19E)-7,8,17-Trihydroxy-4,9,11,13,15,19-docosahexaenoic acid

  • Molecular FormulaC22H32O5
  • Average mass376.487 Da
  • Monoisotopic mass376.224976 Da
  • ChemSpider ID28583291

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E,9E,11E,13E,15E,19E)-7,8,17-Trihydroxy-4,9,11,13,15,19-docosahexaenoic acid [ACD/IUPAC Name]
(4E,9E,11E,13E,15E,19E)-7,8,17-Trihydroxy-4,9,11,13,15,19-docosahexaensäure [German] [ACD/IUPAC Name]
4,9,11,13,15,19-Docosahexaenoic acid, 7,8,17-trihydroxy-, (4E,9E,11E,13E,15E,19E)- [ACD/Index Name]
Acide (4E,9E,11E,13E,15E,19E)-7,8,17-trihydroxy-4,9,11,13,15,19-docosahexaénoïque [French] [ACD/IUPAC Name]
17(R)-Resolvin D1
528583-91-7 [RN]
7,8,17-TRIHYDROXYDOCOSA-4,9,11,13,15,19-HEXAENOIC ACID
872993-05-0 [RN]
Resolvin D1

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

Density: 1.1±0.1 g/cm3
Boiling Point: 609.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 103.8±6.0 kJ/mol
Flash Point: 336.3±28.0 °C
Index of Refraction: 1.559
Molar Refractivity: 110.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 5.50
ACD/KOC (pH 5.5): 62.25
ACD/LogD (pH 7.4): -0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 341.6±3.0 cm3

Click to predict properties on the Chemicalize site


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