ChemSpider 2D Image | 2,3,4,5-tetranor-thromboxane B1 | C16H28O6

2,3,4,5-tetranor-thromboxane B1

  • Molecular FormulaC16H28O6
  • Average mass316.390 Da
  • Monoisotopic mass316.188599 Da
  • ChemSpider ID29368136

  • 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-(2-Carboxyethyl)-2,4-dideoxy-5-[(1E,3S)-3-hydroxy-1-octen-1-yl]-D-erythro-pentopyranose [ACD/IUPAC Name]
(5R)-4-(2-Carboxyethyl)-2,4-didesoxy-5-[(1E,3S)-3-hydroxy-1-octen-1-yl]-D-erythro-pentopyranose [German] [ACD/IUPAC Name]
(5R)-4-(2-Carboxyéthyl)-2,4-didésoxy-5-[(1E,3S)-3-hydroxy-1-octén-1-yl]-D-érythro-pentopyranose [French] [ACD/IUPAC Name]
2,3,4,5-tetranor-thromboxane B1
D-erythro-Pentopyranose, 4-(2-carboxyethyl)-2,4-dideoxy-5-C-[(1E,3S)-3-hydroxy-1-octen-1-yl]-, (5R)- [ACD/Index Name]
(5R)-4-(2-carboxyethyl)-2,4-dideoxy-5-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-D-erythro-pentopyranose
2,3,4,5-tetranorthromboxane B1
2,3,4,5-tetranor-TXB1
tetranor-TXB1

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

Density: 1.2±0.1 g/cm3
Boiling Point: 543.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.5±6.0 kJ/mol
Flash Point: 195.3±23.6 °C
Index of Refraction: 1.567
Molar Refractivity: 83.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.75
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.59
ACD/LogD (pH 7.4): -1.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 256.5±3.0 cm3

Click to predict properties on the Chemicalize site


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