ChemSpider 2D Image | 2,3-dinor Thromboxane B2-d9 | C18H21D9O6

2,3-dinor Thromboxane B2-d9

  • Molecular FormulaC18H21D9O6
  • Average mass351.483 Da
  • Monoisotopic mass351.260742 Da
  • ChemSpider ID35519234

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(5R)-4-[(2Z)-4-Carboxy-2-buten-1-yl]-2,4-dideoxy-5-[(1E,3S)-3-hydroxy(5,5,6,6,7,7,8,8,8-2H9)-1-octen-1-yl]-D-erythro-pentopyranose [ACD/IUPAC Name]
(5R)-4-[(2Z)-4-Carboxy-2-buten-1-yl]-2,4-didesoxy-5-[(1E,3S)-3-hydroxy(5,5,6,6,7,7,8,8,8-2H9)-1-octen-1-yl]-D-erythro-pentopyranose [German] [ACD/IUPAC Name]
(5R)-4-[(2Z)-4-Carboxy-2-butén-1-yl]-2,4-didésoxy-5-[(1E,3S)-3-hydroxy(5,5,6,6,7,7,8,8,8-2H9)-1-octén-1-yl]-D-érythro-pentopyranose [French] [ACD/IUPAC Name]
2,3-dinor Thromboxane B2-d9
D-erythro-Pentopyranose, 4-[(2Z)-4-carboxy-2-buten-1-yl]-2,4-dideoxy-5-C-[(1E,3S)-3-hydroxy-1-octen-1-yl-5,5,6,6,7,7,8,8,8-d9]-, (5R)- [ACD/Index Name]
(Z)-5-((2R,3S,4S)-4,6-dihydroxy-2-((S,E)-3-hydroxyoct-1-en-1-yl-5,5,6,6,7,7,8,8,8-d9)tetrahydro-2H-pyran-3-yl)pent-3-enoic acid
937633-19-7 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 566.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.8±6.0 kJ/mol
Flash Point: 199.5±23.6 °C
Index of Refraction: 1.572
Molar Refractivity: 93.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.28
ACD/LogD (pH 5.5): 0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.19
ACD/LogD (pH 7.4): -1.61
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: 51.0±3.0 dyne/cm
Molar Volume: 283.1±3.0 cm3

Click to predict properties on the Chemicalize site


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