Found 3 results

Search term: NTOYHCBJHFKMNC (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1R,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl beta-D-glucopyranosiduronic acid | C16H26O7

(1R,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl β-D-glucopyranosiduronic acid

  • Molecular FormulaC16H26O7
  • Average mass330.373 Da
  • Monoisotopic mass330.167847 Da
  • ChemSpider ID127384355

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(1R,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de (1R,2S,4R)-1,7,7-triméthylbicyclo[2.2.1]hept-2-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl [ACD/Index Name]
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]oxane-2-carboxylic acid
Borneol glucuronide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 509.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.8±6.0 kJ/mol
Flash Point: 184.2±23.6 °C
Index of Refraction: 1.577
Molar Refractivity: 79.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.69
ACD/LogD (pH 5.5): -2.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 240.1±5.0 cm3

Click to predict properties on the Chemicalize site


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