ChemSpider 2D Image | (6S)-6-[(2S,3S)-3-Methoxy-5-oxotetrahydro-2-furanyl]-4H-spiro[cyclohex-2-ene-1,2'-naphtho[1,8-de][1,3]dioxin]-4-one | C21H18O6

(6S)-6-[(2S,3S)-3-Methoxy-5-oxotetrahydro-2-furanyl]-4H-spiro[cyclohex-2-ene-1,2'-naphtho[1,8-de][1,3]dioxin]-4-one

  • Molecular FormulaC21H18O6
  • Average mass366.364 Da
  • Monoisotopic mass366.110352 Da
  • ChemSpider ID35517118

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(6S)-6-[(2S,3S)-3-Methoxy-5-oxotetrahydro-2-furanyl]-4H-spiro[cyclohex-2-ene-1,2'-naphtho[1,8-de][1,3]dioxin]-4-one [ACD/IUPAC Name]
Spiro[cyclohex-2-ene-1,2'-naphtho[1,8-de][1,3]dioxin]-4-one, 6-[(2S,3S)-tetrahydro-3-methoxy-5-oxo-2-furanyl]-, (6S)- [ACD/Index Name]
Palmarumycin P1

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

Density: 1.4±0.1 g/cm3
Boiling Point: 631.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 278.4±31.5 °C
Index of Refraction: 1.659
Molar Refractivity: 96.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 83.76
ACD/KOC (pH 5.5): 828.20
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 83.76
ACD/KOC (pH 7.4): 828.20
Polar Surface Area: 71 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 60.9±5.0 dyne/cm
Molar Volume: 260.8±5.0 cm3

Click to predict properties on the Chemicalize site


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