Found 1 result

Search term: 1217709-85-7 (Found by approved synonym)
ChemSpider 2D Image | REPAGLINIDE-D5 | C27H31D5N2O4

REPAGLINIDE-D5

  • Molecular FormulaC27H31D5N2O4
  • Average mass457.616 Da
  • Monoisotopic mass457.298889 Da
  • ChemSpider ID23937110

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1217709-85-7 [RN]
2-[(2H5)Ethyloxy]-4-[2-({(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl}amino)-2-oxoethyl]benzoesäure [German] [ACD/IUPAC Name]
2-[(2H5)Ethyloxy]-4-[2-({(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid [ACD/IUPAC Name]
Acide 2-[(2H5)éthyloxy]-4-[2-({(1S)-3-méthyl-1-[2-(1-pipéridinyl)phényl]butyl}amino)-2-oxoéthyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-(ethyl-d5-oxy)-4-[2-[[(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]amino]-2-oxoethyl]- [ACD/Index Name]
REPAGLINIDE-D5
(+)-2-Ethoxy-α-[[(S)-α-isobutyl-o-piperidinobenzyl]carbamoyl]-p-toluic acid
(S)-(+)-Repaglinide-d5 (ethoxy-d5)
2-[(2H5)Ethyloxy]-4-[2-({(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid
4-[2-[[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]-2-(1,1,2,2,2-pentadeuterioethoxy)benzoic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 672.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 360.8±31.5 °C
Index of Refraction: 1.568
Molar Refractivity: 130.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 58.10
ACD/KOC (pH 5.5): 207.09
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 3.94
ACD/KOC (pH 7.4): 14.06
Polar Surface Area: 79 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 397.9±3.0 cm3

Click to predict properties on the Chemicalize site


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