ChemSpider 2D Image | (+)-neocitreoviridin | C23H30O6

(+)-neocitreoviridin

  • Molecular FormulaC23H30O6
  • Average mass402.481 Da
  • Monoisotopic mass402.204254 Da
  • ChemSpider ID24227325

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(+)-neocitreoviridin
2,5-Anhydro-1,6-dideoxy-2-[(1Z,3E,5E,7E)-8-(4-methoxy-5-methyl-2-oxo-2H-pyran-6-yl)-2-methyl-1,3,5,7-octatetraen-1-yl]-4-C-methyl-D-iditol [ACD/IUPAC Name]
2,5-Anhydro-1,6-didesoxy-2-[(1Z,3E,5E,7E)-8-(4-methoxy-5-methyl-2-oxo-2H-pyran-6-yl)-2-methyl-1,3,5,7-octatetraen-1-yl]-4-C-methyl-D-iditol [German] [ACD/IUPAC Name]
2,5-Anhydro-1,6-didésoxy-2-[(1Z,3E,5E,7E)-8-(4-méthoxy-5-méthyl-2-oxo-2H-pyran-6-yl)-2-méthyl-1,3,5,7-octatétraén-1-yl]-4-C-méthyl-D-iditol [French] [ACD/IUPAC Name]
6-{(1E,3E,5E,7Z)-8-[(2S,3R,4R,5R)-3,4-Dihydroxy-2,4,5-trimethyltetrahydro-2-furanyl]-7-methyl-1,3,5,7-octatetraen-1-yl}-5-methyl-2-oxo-2H-pyran-4-yl (non-preferred name) [German] [ACD/IUPAC Name]
6-{(1E,3E,5E,7Z)-8-[(2S,3R,4R,5R)-3,4-Dihydroxy-2,4,5-triméthyltétrahydro-2-furanyl]-7-méthyl-1,3,5,7-octatétraén-1-yl}-5-méthyl-2-oxo-2H-pyran-4-yl (non-preferred name) [French] [ACD/IUPAC Name]
L-arabino-Hept-5-enitol, 1,4-anhydro-5,6,7-trideoxy-6-[(1E,3E,5E)-6-(4-methoxy-5-methyl-2-oxo-2H-pyran-6-yl)-1,3,5-hexatrien-1-yl]-1,2,4-tri-C-methyl-, (1R,5Z)- [ACD/Index Name]

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

Density: 1.2±0.0 g/cm3
Boiling Point: 585.1±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 100.4±0.0 kJ/mol
Flash Point: 197.7±0.0 °C
Index of Refraction: 1.569
Molar Refractivity: 111.4±0.0 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 119.66
ACD/KOC (pH 5.5): 1069.09
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 119.66
ACD/KOC (pH 7.4): 1069.09
Polar Surface Area: 85 Å2
Polarizability: 44.2±0.0 10-24cm3
Surface Tension: 47.5±0.0 dyne/cm
Molar Volume: 339.8±0.0 cm3

Click to predict properties on the Chemicalize site


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