ChemSpider 2D Image | Tirandamycin C | C22H29NO5

Tirandamycin C

  • Molecular FormulaC22H29NO5
  • Average mass387.469 Da
  • Monoisotopic mass387.204559 Da
  • ChemSpider ID24661109

  • 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

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 585.9±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: 308.1±30.1 °C
Index of Refraction: 1.552
Molar Refractivity: 105.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.24
ACD/KOC (pH 5.5): 17.63
ACD/LogD (pH 7.4): -0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 85 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 329.5±3.0 cm3

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