ChemSpider 2D Image | AP-22161 | C32H39N3O7

AP-22161

  • Molecular FormulaC32H39N3O7
  • Average mass577.668 Da
  • Monoisotopic mass577.278809 Da
  • ChemSpider ID8135498

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

268741-42-0 [RN]
4-[(2S)-2-Acetamido-3-{[(5S)-3-carbamoyl-2-(cyclohexylmethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino}-3-oxopropyl]-2-formylbenzoesäure [German] [ACD/IUPAC Name]
4-[(2S)-2-Acetamido-3-{[(5S)-3-carbamoyl-2-(cyclohexylmethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino}-3-oxopropyl]-2-formylbenzoic acid [ACD/IUPAC Name]
Acide 4-[(2S)-2-acétamido-3-{[(5S)-3-carbamoyl-2-(cyclohexylméthoxy)-6,7,8,9-tétrahydro-5H-benzo[7]annulén-5-yl]amino}-3-oxopropyl]-2-formylbenzoïque [French] [ACD/IUPAC Name]
AP-22161
Benzoic acid, 4-[(2S)-2-(acetylamino)-3-[[(5S)-3-(aminocarbonyl)-2-(cyclohexylmethoxy)-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl]amino]-3-oxopropyl]-2-formyl- [ACD/Index Name]
G7VE62573J
4-[(2S)-2-acetamido-3-[[(5S)-3-carbamoyl-2-(cyclohexylmethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]-3-oxopropyl]-2-formylbenzoic acid
Benzoic acid, 4-((2S)-2-(acetylamino)-3-(((5S)-3-(aminocarbonyl)-2-(cyclohexylmethoxy)-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)amino)-3-oxopropyl)-2-formyl-
UNII:G7VE62573J
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 867.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.1±3.0 kJ/mol
Flash Point: 478.7±34.3 °C
Index of Refraction: 1.617
Molar Refractivity: 154.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 4.67
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 169.68
ACD/KOC (pH 5.5): 731.63
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 3.48
ACD/KOC (pH 7.4): 14.99
Polar Surface Area: 165 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 442.7±5.0 cm3

Click to predict properties on the Chemicalize site


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