ChemSpider 2D Image | SLV-334 | C33H36N2O6

SLV-334

  • Molecular FormulaC33H36N2O6
  • Average mass556.649 Da
  • Monoisotopic mass556.257324 Da
  • ChemSpider ID9390116

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-2-[(1-{[(3S)-1-(Carboxymethyl)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]carbamoyl}cyclopentyl)methyl]-4-(1-naphthyl)butanoic acid [ACD/IUPAC Name]
(2R)-2-[(1-{[(3S)-1-(Carboxymethyl)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]carbamoyl}cyclopentyl)methyl]-4-(1-naphthyl)butansäure [German] [ACD/IUPAC Name]
182821-33-6 [RN]
1H-1-Benzazepine-1-acetic acid, 3-[[[1-[(2R)-2-carboxy-4-(1-naphthalenyl)butyl]cyclopentyl]carbonyl]amino]-2,3,4,5-tetrahydro-2-oxo-, (3S)- [ACD/Index Name]
Acide (2R)-2-[(1-{[(3S)-1-(carboxyméthyl)-2-oxo-2,3,4,5-tétrahydro-1H-1-benzazépin-3-yl]carbamoyl}cyclopentyl)méthyl]-4-(1-naphtyl)butanoïque [French] [ACD/IUPAC Name]
SLV-334

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

3613ZP748K [DBID]
UNII:3613ZP748K [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 888.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.3±3.0 kJ/mol
Flash Point: 491.2±34.3 °C
Index of Refraction: 1.661
Molar Refractivity: 154.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.46
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 2.94
ACD/KOC (pH 5.5): 10.14
ACD/LogD (pH 7.4): 0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 68.6±5.0 dyne/cm
Molar Volume: 418.5±5.0 cm3

Click to predict properties on the Chemicalize site


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