ChemSpider 2D Image | (2R)-[({1-[3-(3,5-Dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-4-piperidinyl}carbonyl)amino](phenyl)acetic acid | C30H30N2O7

(2R)-[({1-[3-(3,5-Dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-4-piperidinyl}carbonyl)amino](phenyl)acetic acid

  • Molecular FormulaC30H30N2O7
  • Average mass530.568 Da
  • Monoisotopic mass530.205322 Da
  • ChemSpider ID21858978

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-[({1-[3-(3,5-Dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-4-piperidinyl}carbonyl)amino](phenyl)acetic acid [ACD/IUPAC Name]
(2R)-[({1-[3-(3,5-Dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-4-piperidinyl}carbonyl)amino](phenyl)essigsäure [German] [ACD/IUPAC Name]
Acide (2R)-[({1-[3-(3,5-diméthyl-7-oxo-7H-furo[3,2-g]chromén-6-yl)propanoyl]-4-pipéridinyl}carbonyl)amino](phényl)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-[[[1-[3-(3,5-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)-1-oxopropyl]-4-piperidinyl]carbonyl]amino]-, (αR)- [ACD/Index Name]
({1-[3-(3,5-Dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)-propionyl]-piperidine-4-carbonyl}-amino)-phenyl-acetic acid
(2R)-[({1-[3-(3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]piperidin-4-yl}carbonyl)amino](phenyl)ethanoic acid
(R)-2-(1-(3-(3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl)piperidine-4-carboxamido)-2-phenylacetic acid
1217850-31-1 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 833.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.9±3.0 kJ/mol
Flash Point: 457.6±34.3 °C
Index of Refraction: 1.625
Molar Refractivity: 141.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 1.24
ACD/KOC (pH 5.5): 7.57
ACD/LogD (pH 7.4): 0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 126 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 400.2±3.0 cm3

Click to predict properties on the Chemicalize site


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