ChemSpider 2D Image | (2Z)-[(4R,6S)-6-(beta-D-Glucopyranosyloxy)-4-methoxy-2-cyclohexen-1-ylidene]acetonitrile | C15H21NO7

(2Z)-[(4R,6S)-6-(β-D-Glucopyranosyloxy)-4-methoxy-2-cyclohexen-1-ylidene]acetonitrile

  • Molecular FormulaC15H21NO7
  • Average mass327.330 Da
  • Monoisotopic mass327.131805 Da
  • ChemSpider ID40256506

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2Z)-[(4R,6S)-6-(β-D-Glucopyranosyloxy)-4-methoxy-2-cyclohexen-1-yliden]acetonitril [German] [ACD/IUPAC Name]
(2Z)-[(4R,6S)-6-(β-D-Glucopyranosyloxy)-4-methoxy-2-cyclohexen-1-ylidene]acetonitrile [ACD/IUPAC Name]
(2Z)-[(4R,6S)-6-(β-D-Glucopyranosyloxy)-4-méthoxy-2-cyclohexén-1-ylidène]acétonitrile [French] [ACD/IUPAC Name]
Acetonitrile, 2-[(4R,6S)-6-(β-D-glucopyranosyloxy)-4-methoxy-2-cyclohexen-1-ylidene]-, (2Z)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 591.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.2±6.0 kJ/mol
Flash Point: 311.3±30.1 °C
Index of Refraction: 1.591
Molar Refractivity: 78.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -2.63
ACD/LogD (pH 5.5): -1.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.77
ACD/LogD (pH 7.4): -1.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.77
Polar Surface Area: 132 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 69.6±5.0 dyne/cm
Molar Volume: 231.1±5.0 cm3

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