ChemSpider 2D Image | (4E)-5-Hydroxy-4-{(2E,4E,6R)-1-hydroxy-6-[(3R,4R,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-dihydro-3H-pyrrol-3-one | C22H29NO6

(4E)-5-Hydroxy-4-{(2E,4E,6R)-1-hydroxy-6-[(3R,4R,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-dihydro-3H-pyrrol-3-one

  • Molecular FormulaC22H29NO6
  • Average mass403.469 Da
  • Monoisotopic mass403.199493 Da
  • ChemSpider ID58837287
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 6 defined stereocentres


More details:






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

(4E)-5-Hydroxy-4-{(2E,4E,6R)-1-hydroxy-6-[(3R,4R,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-dihydro-3H-pyrrol-3-on [German] [ACD/IUPAC Name]
(4E)-5-Hydroxy-4-{(2E,4E,6R)-1-hydroxy-6-[(3R,4R,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-dihydro-3H-pyrrol-3-one [ACD/IUPAC Name]
(4E)-5-Hydroxy-4-{(2E,4E,6R)-1-hydroxy-6-[(3R,4R,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-dihydro-3H-pyrrol-3-one [French] [ACD/IUPAC Name]
tirandamycin F

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

Density: 1.3±0.1 g/cm3
Boiling Point: 604.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.1±6.0 kJ/mol
Flash Point: 319.2±34.3 °C
Index of Refraction: 1.596
Molar Refractivity: 105.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.23
ACD/LogD (pH 7.4): -1.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 44.4±7.0 dyne/cm
Molar Volume: 308.9±7.0 cm3

Click to predict properties on the Chemicalize site






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