Found 1 result

Search term: 76790949 (Found by CSID)
ChemSpider 2D Image | (1R,2R,3R,4R,6S)-4-(Carbamoyloxy)-2,3-dihydroxy-6-[(3-hydroxybenzoyl)amino]cyclohexyl 2-hydroxy-6-methylbenzoate | C22H24N2O9

(1R,2R,3R,4R,6S)-4-(Carbamoyloxy)-2,3-dihydroxy-6-[(3-hydroxybenzoyl)amino]cyclohexyl 2-hydroxy-6-methylbenzoate

  • Molecular FormulaC22H24N2O9
  • Average mass460.434 Da
  • Monoisotopic mass460.148193 Da
  • ChemSpider ID76790949

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,2R,3R,4R,6S)-4-(Carbamoyloxy)-2,3-dihydroxy-6-[(3-hydroxybenzoyl)amino]cyclohexyl 2-hydroxy-6-methylbenzoate [ACD/IUPAC Name]
(1R,2R,3R,4R,6S)-4-(Carbamoyloxy)-2,3-dihydroxy-6-[(3-hydroxybenzoyl)amino]cyclohexyl-2-hydroxy-6-methylbenzoat [German] [ACD/IUPAC Name]
2-Hydroxy-6-méthylbenzoate de (1R,2R,3R,4R,6S)-4-(carbamoyloxy)-2,3-dihydroxy-6-[(3-hydroxybenzoyl)amino]cyclohexyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-hydroxy-6-methyl-, (1R,2R,3R,4R,6S)-4-[(aminocarbonyl)oxy]-2,3-dihydroxy-6-[(3-hydroxybenzoyl)amino]cyclohexyl ester [ACD/Index Name]
Nabscessin B

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

Density: 1.5±0.1 g/cm3
Boiling Point: 738.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.0±3.0 kJ/mol
Flash Point: 400.2±32.9 °C
Index of Refraction: 1.677
Molar Refractivity: 112.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.72
ACD/KOC (pH 5.5): 177.12
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 7.85
ACD/KOC (pH 7.4): 143.06
Polar Surface Area: 189 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 87.3±5.0 dyne/cm
Molar Volume: 299.5±5.0 cm3

Click to predict properties on the Chemicalize site


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