ChemSpider 2D Image | (4S)-5-[(4-Benzylphenyl)sulfanyl]-4-[(7-phenylheptanoyl)amino]pentanoic acid | C31H37NO3S

(4S)-5-[(4-Benzylphenyl)sulfanyl]-4-[(7-phenylheptanoyl)amino]pentanoic acid

  • Molecular FormulaC31H37NO3S
  • Average mass503.695 Da
  • Monoisotopic mass503.249420 Da
  • ChemSpider ID113422

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-5-[(4-Benzylphenyl)sulfanyl]-4-[(7-phenylheptanoyl)amino]pentanoic acid [ACD/IUPAC Name]
(4S)-5-[(4-Benzylphenyl)sulfanyl]-4-[(7-phenylheptanoyl)amino]pentansäure [German] [ACD/IUPAC Name]
4-(s)-[(1-oxo-7-phenylheptyl)amino]-5-[4-(phenylmethyl)phenylthio]pentanoic acid
Acide (4S)-5-[(4-benzylphényl)sulfanyl]-4-[(7-phénylheptanoyl)amino]pentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 4-[(1-oxo-7-phenylheptyl)amino]-5-[[4-(phenylmethyl)phenyl]thio]-, (4S)- [ACD/Index Name]
(4S)-5-[(4-BENZYLPHENYL)SULFANYL]-4-(7-PHENYLHEPTANAMIDO)PENTANOIC ACID
(S)-4-((1-Oxo-7-phenylheptyl)amino)-5-((4-(phenylmethyl)phenyl)thio)pentanoic acid
154461-38-8 [RN]
Fpl 67047XX
FPL 67047XX; AR-C 67047MI
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 730.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.0±3.0 kJ/mol
Flash Point: 395.7±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 149.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 7.09
ACD/LogD (pH 5.5): 5.32
ACD/BCF (pH 5.5): 3580.56
ACD/KOC (pH 5.5): 6068.67
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 56.54
ACD/KOC (pH 7.4): 95.84
Polar Surface Area: 92 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 433.2±5.0 cm3

Click to predict properties on the Chemicalize site


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