ChemSpider 2D Image | (3S)-3-({N-[(5-Acetyl-2-methoxyphenyl)acetyl]-L-valyl}amino)-5-[4-(2-methoxy-2-oxoethyl)phenoxy]-4-oxopentanoic acid | C30H36N2O10

(3S)-3-({N-[(5-Acetyl-2-methoxyphenyl)acetyl]-L-valyl}amino)-5-[4-(2-methoxy-2-oxoethyl)phenoxy]-4-oxopentanoic acid

  • Molecular FormulaC30H36N2O10
  • Average mass584.614 Da
  • Monoisotopic mass584.237000 Da
  • ChemSpider ID8457314

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S)-3-({N-[(5-Acetyl-2-methoxyphenyl)acetyl]-L-valyl}amino)-5-[4-(2-methoxy-2-oxoethyl)phenoxy]-4-oxopentanoic acid [ACD/IUPAC Name]
(3S)-3-({N-[(5-Acetyl-2-methoxyphenyl)acetyl]-L-valyl}amino)-5-[4-(2-methoxy-2-oxoethyl)phenoxy]-4-oxopentansäure [German] [ACD/IUPAC Name]
Acide (3S)-3-({N-[2-(5-acétyl-2-méthoxyphényl)acétyl]-L-valyl}amino)-5-[4-(2-méthoxy-2-oxoéthyl)phénoxy]-4-oxopentanoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-[(3S)-3-[[(2S)-2-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-3-methyl-1-oxobutyl]amino]-4-carboxy-2-oxobutoxy]-, α-methyl ester [ACD/Index 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: 860.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.0±3.0 kJ/mol
Flash Point: 474.2±34.3 °C
Index of Refraction: 1.552
Molar Refractivity: 149.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 2.75
ACD/KOC (pH 5.5): 25.00
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 174 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 468.8±3.0 cm3

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