ChemSpider 2D Image | Tirandamycin E | C22H29NO6

Tirandamycin E

  • Molecular FormulaC22H29NO6
  • Average mass403.469 Da
  • Monoisotopic mass403.199493 Da
  • ChemSpider ID26329106
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(3Z)-3-{(2E,4E,6R)-1-Hydroxy-6-[(1S,3R,4R,5S,6S)-6-hydroxy-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]-4-methyl-2,4-heptadien-1-yliden}-2,4-pyrrolidindion [German] [ACD/IUPAC Name]
(3Z)-3-{(2E,4E,6R)-1-Hydroxy-6-[(1S,3R,4R,5S,6S)-6-hydroxy-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]-4-methyl-2,4-heptadien-1-ylidene}-2,4-pyrrolidinedione [ACD/IUPAC Name]
(3Z)-3-{(2E,4E,6R)-1-Hydroxy-6-[(1S,3R,4R,5S,6S)-6-hydroxy-1,4,8-triméthyl-2,9-dioxabicyclo[3.3.1]non-7-én-3-yl]-4-méthyl-2,4-heptadién-1-ylidène}-2,4-pyrrolidinedione [French] [ACD/IUPAC Name]
Tirandamycin E

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

Density: 1.2±0.1 g/cm3
Boiling Point: 635.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.5±6.0 kJ/mol
Flash Point: 337.9±31.5 °C
Index of Refraction: 1.568
Molar Refractivity: 106.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.15
ACD/LogD (pH 5.5): 0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.64
ACD/LogD (pH 7.4): -1.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 105 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 326.5±3.0 cm3

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