ChemSpider 2D Image | (2R,3S,4S,5S,6S)-2-Bromo-3-chloro-3,4,5,6-tetrahydroxy-4-(1H-indol-1-yl)tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name) | C14H13BrClNO7

(2R,3S,4S,5S,6S)-2-Bromo-3-chloro-3,4,5,6-tetrahydroxy-4-(1H-indol-1-yl)tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)

  • Molecular FormulaC14H13BrClNO7
  • Average mass422.612 Da
  • Monoisotopic mass420.956390 Da
  • ChemSpider ID114100768

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3S,4S,5S,6S)-2-Brom-3-chlor-3,4,5,6-tetrahydroxy-4-(1H-indol-1-yl)tetrahydro-2H-pyran-2-carbonsäure (non-preferred name) [German] [ACD/IUPAC Name]
(2R,3S,4S,5S,6S)-2-Bromo-3-chloro-3,4,5,6-tetrahydroxy-4-(1H-indol-1-yl)tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name) [ACD/IUPAC Name]
Acide (2R,3S,4S,5S,6S)-2-bromo-3-chloro-3,4,5,6-tétrahydroxy-4-(1H-indol-1-yl)tétrahydro-2H-pyrane-2-carboxylique (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 653.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 349.3±31.5 °C
Index of Refraction: 1.722
Molar Refractivity: 83.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 6.43
ACD/LogD (pH 5.5): -0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 81.3±7.0 dyne/cm
Molar Volume: 211.4±7.0 cm3

Click to predict properties on the Chemicalize site


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