ChemSpider 2D Image | (2Z)-[(2S,4S)-2-(beta-D-Glucopyranosyloxy)-4-hydroxycyclohexylidene]acetonitrile | C14H21NO7

(2Z)-[(2S,4S)-2-(β-D-Glucopyranosyloxy)-4-hydroxycyclohexylidene]acetonitrile

  • Molecular FormulaC14H21NO7
  • Average mass315.319 Da
  • Monoisotopic mass315.131805 Da
  • ChemSpider ID40256508

  • 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)-[(2S,4S)-2-(β-D-Glucopyranosyloxy)-4-hydroxycyclohexyliden]acetonitril [German] [ACD/IUPAC Name]
(2Z)-[(2S,4S)-2-(β-D-Glucopyranosyloxy)-4-hydroxycyclohexylidene]acetonitrile [ACD/IUPAC Name]
(2Z)-[(2S,4S)-2-(β-D-Glucopyranosyloxy)-4-hydroxycyclohexylidène]acétonitrile [French] [ACD/IUPAC Name]
Acetonitrile, 2-[(2S,4S)-2-(β-D-glucopyranosyloxy)-4-hydroxycyclohexylidene]-, (2Z)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 613.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.5±6.0 kJ/mol
Flash Point: 325.1±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 73.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -2.87
ACD/LogD (pH 5.5): -2.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.49
ACD/LogD (pH 7.4): -2.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.49
Polar Surface Area: 143 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 79.9±5.0 dyne/cm
Molar Volume: 212.9±5.0 cm3

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