ChemSpider 2D Image | N-[(9S,12S,15R)-12-Benzyl-15-isopropyl-24-methoxy-4,10,13,16-tetraoxo-2-oxa-5,11,14,17-tetraazabicyclo[19.3.1]pentacosa-1(25),21,23-trien-9-yl]-2-(2-methoxyethoxy)acetamide | C36H51N5O9

N-[(9S,12S,15R)-12-Benzyl-15-isopropyl-24-methoxy-4,10,13,16-tetraoxo-2-oxa-5,11,14,17-tetraazabicyclo[19.3.1]pentacosa-1(25),21,23-trien-9-yl]-2-(2-methoxyethoxy)acetamide

  • Molecular FormulaC36H51N5O9
  • Average mass697.818 Da
  • Monoisotopic mass697.368652 Da
  • ChemSpider ID71341758

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Acetamide, 2-(2-methoxyethoxy)-N-[(9S,12S,15R)-24-methoxy-15-(1-methylethyl)-4,10,13,16-tetraoxo-12-(phenylmethyl)-2-oxa-5,11,14,17-tetraazabicyclo[19.3.1]pentacosa-1(25),21,23-trien-9-yl]- [ACD/Index Name]
N-[(9S,12S,15R)-12-Benzyl-15-isopropyl-24-methoxy-4,10,13,16-tetraoxo-2-oxa-5,11,14,17-tetraazabicyclo[19.3.1]pentacosa-1(25),21,23-trien-9-yl]-2-(2-methoxyethoxy)acetamid [German] [ACD/IUPAC Name]
N-[(9S,12S,15R)-12-Benzyl-15-isopropyl-24-methoxy-4,10,13,16-tetraoxo-2-oxa-5,11,14,17-tetraazabicyclo[19.3.1]pentacosa-1(25),21,23-trien-9-yl]-2-(2-methoxyethoxy)acetamide [ACD/IUPAC Name]
N-[(9S,12S,15R)-12-Benzyl-15-isopropyl-24-méthoxy-4,10,13,16-tétraoxo-2-oxa-5,11,14,17-tétraazabicyclo[19.3.1]pentacosa-1(25),21,23-trién-9-yl]-2-(2-méthoxyéthoxy)acétamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1025.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.1±3.0 kJ/mol
Flash Point: 573.8±34.3 °C
Index of Refraction: 1.571
Molar Refractivity: 186.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 0.62
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 2.32
ACD/KOC (pH 5.5): 63.56
ACD/LogD (pH 7.4): 0.78
ACD/BCF (pH 7.4): 2.32
ACD/KOC (pH 7.4): 63.56
Polar Surface Area: 182 Å2
Polarizability: 73.8±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 566.7±5.0 cm3

Click to predict properties on the Chemicalize site


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