Found 1 result

Search term: 30825037 (Found by CSID)
ChemSpider 2D Image | 3-Amino-N-{(3S,6S,7S,10S,14R,15R)-15-benzyl-10-[(2S)-2-butanyl]-14-hydroxy-3,7,13,13-tetramethyl-2,5,9,12-tetraoxo-1,4,8,11-tetraoxacyclopentadecan-6-yl}-2-hydroxybenzamide | C33H42N2O11

3-Amino-N-{(3S,6S,7S,10S,14R,15R)-15-benzyl-10-[(2S)-2-butanyl]-14-hydroxy-3,7,13,13-tetramethyl-2,5,9,12-tetraoxo-1,4,8,11-tetraoxacyclopentadecan-6-yl}-2-hydroxybenzamide

  • Molecular FormulaC33H42N2O11
  • Average mass642.693 Da
  • Monoisotopic mass642.278870 Da
  • ChemSpider ID30825037

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

3-Amino-N-{(3S,6S,7S,10S,14R,15R)-15-benzyl-10-[(2S)-2-butanyl]-14-hydroxy-3,7,13,13-tetramethyl-2,5,9,12-tetraoxo-1,4,8,11-tetraoxacyclopentadecan-6-yl}-2-hydroxybenzamid [German] [ACD/IUPAC Name]
3-Amino-N-{(3S,6S,7S,10S,14R,15R)-15-benzyl-10-[(2S)-2-butanyl]-14-hydroxy-3,7,13,13-tetramethyl-2,5,9,12-tetraoxo-1,4,8,11-tetraoxacyclopentadecan-6-yl}-2-hydroxybenzamide [ACD/IUPAC Name]
3-Amino-N-{(3S,6S,7S,10S,14R,15R)-15-benzyl-10-[(2S)-2-butanyl]-14-hydroxy-3,7,13,13-tétraméthyl-2,5,9,12-tétraoxo-1,4,8,11-tétraoxacyclopentadécan-6-yl}-2-hydroxybenzamide [French] [ACD/IUPAC Name]
JBIR-05

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

Density: 1.3±0.1 g/cm3
Boiling Point: 877.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.6±3.0 kJ/mol
Flash Point: 484.4±34.3 °C
Index of Refraction: 1.587
Molar Refractivity: 164.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 62.09
ACD/KOC (pH 5.5): 660.31
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 44.44
ACD/KOC (pH 7.4): 472.62
Polar Surface Area: 201 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 61.0±5.0 dyne/cm
Molar Volume: 489.2±5.0 cm3

Click to predict properties on the Chemicalize site


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