ChemSpider 2D Image | 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID | C40H35N2O6P

2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID

  • Molecular FormulaC40H35N2O6P
  • Average mass670.690 Da
  • Monoisotopic mass670.223267 Da
  • ChemSpider ID571178

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(1R)-2-(3-{Methyl[1-(2-naphthoyl)-4-piperidinyl]carbamoyl}-2-naphthyl)-1-(1-naphthyl)-2-oxoethyl]phosphonic acid [ACD/IUPAC Name]
[(1R)-2-(3-{Methyl[1-(2-naphthoyl)-4-piperidinyl]carbamoyl}-2-naphthyl)-1-(1-naphthyl)-2-oxoethyl]phosphonsäure [German] [ACD/IUPAC Name]
2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID
Acide [(1R)-2-(3-{méthyl[1-(2-naphtoyl)-4-pipéridinyl]carbamoyl}-2-naphtyl)-1-(1-naphtyl)-2-oxoéthyl]phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [(1R)-2-[3-[[methyl[1-(2-naphthalenylcarbonyl)-4-piperidinyl]amino]carbonyl]-2-naphthalenyl]-1-(1-naphthalenyl)-2-oxoethyl]- [ACD/Index Name]
(1R)-2-(3-{methyl[1-(naphthalene-2-carbonyl)piperidin-4-yl]carbamoyl}naphthalen-2-yl)-1-(naphthalen-1-yl)-2-oxoethylphosphonic acid
[(1R)-2-(3-{methyl[1-(naphthalene-2-carbonyl)piperidin-4-yl]carbamoyl}naphthalen-2-yl)-1-(naphthalen-1-yl)-2-oxoethyl]phosphonic acid
[(1R)-2-{3-[methyl({1-[(naphthalen-2-yl)carbonyl]piperidin-4-yl})carbamoyl]naphthalen-2-yl}-1-(naphthalen-1-yl)-2-oxoethyl]phosphonic acid
518062-14-1 [RN]
JNJ-10311795
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 966.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.4±3.0 kJ/mol
Flash Point: 538.1±37.1 °C
Index of Refraction: 1.738
Molar Refractivity: 191.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 125 Å2
Polarizability: 75.7±0.5 10-24cm3
Surface Tension: 76.7±5.0 dyne/cm
Molar Volume: 474.8±5.0 cm3

Click to predict properties on the Chemicalize site


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