ChemSpider 2D Image | N-(3,4,5-Trimethoxybenzoyl)hexopyranuronosylamine | C16H21NO10

N-(3,4,5-Trimethoxybenzoyl)hexopyranuronosylamine

  • Molecular FormulaC16H21NO10
  • Average mass387.339 Da
  • Monoisotopic mass387.116547 Da
  • ChemSpider ID23196609

More details:

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

Hexopyranuronosylamine, N-(3,4,5-trimethoxybenzoyl)- [ACD/Index Name]
N-(3,4,5-Trimethoxybenzoyl)hexopyranuronosylamin [German] [ACD/IUPAC Name]
N-(3,4,5-Trimethoxybenzoyl)hexopyranuronosylamine [ACD/IUPAC Name]
N-(3,4,5-Triméthoxybenzoyl)hexopyranuronosylamine [French] [ACD/IUPAC Name]
3,4,5-Trihydroxy-6-(3,4,5-trimethoxy-benzoylamino)-tetrahydro-pyran-2-carboxylic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 615.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 326.3±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 87.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.24
ACD/LogD (pH 5.5): -3.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 164 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 76.6±5.0 dyne/cm
Molar Volume: 252.6±5.0 cm3

Click to predict properties on the Chemicalize site


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