ChemSpider 2D Image | Thromboxane B2-d4 | C20H30D4O6

Thromboxane B2-d4

  • Molecular FormulaC20H30D4O6
  • Average mass374.505 Da
  • Monoisotopic mass374.260651 Da
  • ChemSpider ID17220799

  • 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

(5Z,9β,13E,15S)-9,11,15-Trihydroxy(3,3,4,4-2H4)thromboxa-5,13-dien-1-oic acid [ACD/IUPAC Name]
(5Z,9β,13E,15S)-9,11,15-Trihydroxy(3,3,4,4-2H4)thromboxa-5,13-dien-1-säure [German] [ACD/IUPAC Name]
1346112-79-5 [RN]
Acide (5Z,9β,13E,15S)-9,11,15-trihydroxy(3,3,4,4-2H4)thromboxa-5,13-dién-1-oïque [French] [ACD/IUPAC Name]
D-erythro-Pentopyranose, 4-[(2Z)-6-carboxy-2-hexen-1-yl-4,4,5,5-d4]-2,4-dideoxy-5-C-[(1E,3S)-3-hydroxy-1-octen-1-yl]-, (5R)- [ACD/Index Name]
Thromboxane B2-d4
(Z)-3,3,4,4-tetradeuterio-7-[(2R,3S,4S)-4,6-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]oxan-3-yl]hept-5-enoic acid
9?,11,15S-trihydroxy-thromba-5Z,13E-dien-1-oic-3,3,4,4-d4 acid
9S,11,15S-trihydroxy-thromboxa-5Z,13E-dien-1-oic acid-d4
TXB2-d4

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

Density: 1.2±0.1 g/cm3
Boiling Point: 582.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.0±6.0 kJ/mol
Flash Point: 199.7±23.6 °C
Index of Refraction: 1.561
Molar Refractivity: 102.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 2.87
ACD/KOC (pH 5.5): 43.42
ACD/LogD (pH 7.4): -0.63
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: 48.9±3.0 dyne/cm
Molar Volume: 316.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement