ChemSpider 2D Image | N-[(6S,7R)-15-Benzyl-14-hydroxy-10-isopropyl-3,7,13,13-tetramethyl-2,5,9,12-tetraoxo-1,4,8,11-tetraoxacyclopentadecan-6-yl]-3-formamido-2-hydroxybenzamide | C33H40N2O12

N-[(6S,7R)-15-Benzyl-14-hydroxy-10-isopropyl-3,7,13,13-tetramethyl-2,5,9,12-tetraoxo-1,4,8,11-tetraoxacyclopentadecan-6-yl]-3-formamido-2-hydroxybenzamide

  • Molecular FormulaC33H40N2O12
  • Average mass656.677 Da
  • Monoisotopic mass656.258118 Da
  • ChemSpider ID9268687

  • defined stereocentres - 2 of 6 defined stereocentres

More details:

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

N-[(6S,7R)-15-Benzyl-14-hydroxy-10-isopropyl-3,7,13,13-tetramethyl-2,5,9,12-tetraoxo-1,4,8,11-tetraoxacyclopentadecan-6-yl]-3-formamido-2-hydroxybenzamid [German] [ACD/IUPAC Name]
N-[(6S,7R)-15-Benzyl-14-hydroxy-10-isopropyl-3,7,13,13-tetramethyl-2,5,9,12-tetraoxo-1,4,8,11-tetraoxacyclopentadecan-6-yl]-3-formamido-2-hydroxybenzamide [ACD/IUPAC Name]
N-[(6S,7R)-15-Benzyl-14-hydroxy-10-isopropyl-3,7,13,13-tétraméthyl-2,5,9,12-tétraoxo-1,4,8,11-tétraoxacyclopentadécan-6-yl]-3-formamido-2-hydroxybenzamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 923.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.7±3.0 kJ/mol
Flash Point: 512.4±34.3 °C
Index of Refraction: 1.587
Molar Refractivity: 164.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 55.44
ACD/KOC (pH 5.5): 614.24
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 28.64
ACD/KOC (pH 7.4): 317.35
Polar Surface Area: 204 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 490.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement