Found 1 result

Search term: 29814025 (Found by CSID)
ChemSpider 2D Image | 6-{(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-3,4-Dihydroxy-3a,4,5-trimethylhexahydrofuro[2,3-b]furan-2-yl]-1,3,5-hexatrien-1-yl}-4-methoxy-5-methyl-2H-pyran-2-one | C22H28O7

6-{(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-3,4-Dihydroxy-3a,4,5-trimethylhexahydrofuro[2,3-b]furan-2-yl]-1,3,5-hexatrien-1-yl}-4-methoxy-5-methyl-2H-pyran-2-one

  • Molecular FormulaC22H28O7
  • Average mass404.453 Da
  • Monoisotopic mass404.183502 Da
  • ChemSpider ID29814025

  • 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

2H-Pyran-2-one, 6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-hexahydro-3,4-dihydroxy-3a,4,5-trimethylfuro[2,3-b]furan-2-yl]-1,3,5-hexatrien-1-yl]-4-methoxy-5-methyl- [ACD/Index Name]
6-{(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-3,4-Dihydroxy-3a,4,5-trimethylhexahydrofuro[2,3-b]furan-2-yl]-1,3,5-hexatrien-1-yl}-4-methoxy-5-methyl-2H-pyran-2-on [German] [ACD/IUPAC Name]
6-{(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-3,4-Dihydroxy-3a,4,5-trimethylhexahydrofuro[2,3-b]furan-2-yl]-1,3,5-hexatrien-1-yl}-4-methoxy-5-methyl-2H-pyran-2-one [ACD/IUPAC Name]
6-{(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-3,4-Dihydroxy-3a,4,5-triméthylhexahydrofuro[2,3-b]furan-2-yl]-1,3,5-hexatrién-1-yl}-4-méthoxy-5-méthyl-2H-pyran-2-one [French] [ACD/IUPAC Name]
Asteltoxin C

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

Density: 1.3±0.1 g/cm3
Boiling Point: 604.1±55.0 °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: 208.3±25.0 °C
Index of Refraction: 1.584
Molar Refractivity: 106.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 37.90
ACD/KOC (pH 5.5): 469.48
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 37.90
ACD/KOC (pH 7.4): 469.48
Polar Surface Area: 94 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 318.9±5.0 cm3

Click to predict properties on the Chemicalize site


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