ChemSpider 2D Image | Thromboxane B3 | C20H32O6

Thromboxane B3

  • Molecular FormulaC20H32O6
  • Average mass368.465 Da
  • Monoisotopic mass368.219879 Da
  • ChemSpider ID32815885

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5Z,9β,11β,13E,15S,17Z)-9,11,15-Trihydroxythromboxa-5,13,17-trien-1-oic acid [ACD/IUPAC Name]
(5Z,9β,11β,13E,15S,17Z)-9,11,15-Trihydroxythromboxa-5,13,17-trien-1-säure [German] [ACD/IUPAC Name]
71953-80-5 [RN]
Acide (5Z,9β,11β,13E,15S,17Z)-9,11,15-trihydroxythromboxa-5,13,17-trién-1-oïque [French] [ACD/IUPAC Name]
Thromboxane B3
α-D-erythro-Pentopyranose, 4-[(2Z)-6-carboxy-2-hexen-1-yl]-2,4-dideoxy-5-C-[(1E,3S,5Z)-3-hydroxy-1,5-octadien-1-yl]-, (5R)- [ACD/Index Name]
[71953-80-5] [RN]
9α,11,15S-TRIHYDROXY-THROMBA-5Z,13E,17Z-TRIEN-1-OIC ACID
9α,11α,15S-Trihydroxy-thromba-5Z,13E,17Z-trien-1-oic acid
MFCD00216087

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

Density: 1.2±0.1 g/cm3
Boiling Point: 586.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.5±6.0 kJ/mol
Flash Point: 202.0±23.6 °C
Index of Refraction: 1.575
Molar Refractivity: 102.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.79
ACD/LogD (pH 7.4): -1.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 309.7±3.0 cm3

Click to predict properties on the Chemicalize site


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