ChemSpider 2D Image | 2,3-dinor Thromboxane B1 | C18H32O6

2,3-dinor Thromboxane B1

  • Molecular FormulaC18H32O6
  • Average mass344.443 Da
  • Monoisotopic mass344.219879 Da
  • ChemSpider ID29342029

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(5R)-4-(4-Carboxybutyl)-2,4-dideoxy-5-[(1E,3S)-3-hydroxy-1-octen-1-yl]-D-erythro-pentopyranose [ACD/IUPAC Name]
(5R)-4-(4-Carboxybutyl)-2,4-didesoxy-5-[(1E,3S)-3-hydroxy-1-octen-1-yl]-D-erythro-pentopyranose [German] [ACD/IUPAC Name]
(5R)-4-(4-Carboxybutyl)-2,4-didésoxy-5-[(1E,3S)-3-hydroxy-1-octén-1-yl]-D-érythro-pentopyranose [French] [ACD/IUPAC Name]
196493-76-2 [RN]
2,3-dinor Thromboxane B1
D-erythro-Pentopyranose, 4-(4-carboxybutyl)-2,4-dideoxy-5-C-[(1E,3S)-3-hydroxy-1-octen-1-yl]-, (5R)- [ACD/Index Name]
9?,11,15S-trihydroxy-2,3-dinor-thromba-13E-en-1-oic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 559.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 96.7±6.0 kJ/mol
Flash Point: 195.6±23.6 °C
Index of Refraction: 1.556
Molar Refractivity: 93.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 1.43
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 1.96
ACD/KOC (pH 5.5): 32.98
ACD/LogD (pH 7.4): -0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 289.5±3.0 cm3

Click to predict properties on the Chemicalize site


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