ChemSpider 2D Image | (2S,4S)-N-(2,2-Dimethoxyethyl)-2-(2-{(2-hydroxyethyl)[(4-methoxyphenyl)sulfonyl]amino}ethoxy)-N-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide | C28H38N2O9S

(2S,4S)-N-(2,2-Dimethoxyethyl)-2-(2-{(2-hydroxyethyl)[(4-methoxyphenyl)sulfonyl]amino}ethoxy)-N-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide

  • Molecular FormulaC28H38N2O9S
  • Average mass578.674 Da
  • Monoisotopic mass578.229797 Da
  • ChemSpider ID5102756

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4S)-N-(2,2-Dimethoxyethyl)-2-(2-{(2-hydroxyethyl)[(4-methoxyphenyl)sulfonyl]amino}ethoxy)-N-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamid [German] [ACD/IUPAC Name]
(2S,4S)-N-(2,2-Dimethoxyethyl)-2-(2-{(2-hydroxyethyl)[(4-methoxyphenyl)sulfonyl]amino}ethoxy)-N-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide [ACD/IUPAC Name]
(2S,4S)-N-(2,2-Diméthoxyéthyl)-2-(2-{(2-hydroxyéthyl)[(4-méthoxyphényl)sulfonyl]amino}éthoxy)-N-méthyl-4-phényl-3,4-dihydro-2H-pyrane-6-carboxamide [French] [ACD/IUPAC Name]
2H-Pyran-6-carboxamide, N-(2,2-dimethoxyethyl)-3,4-dihydro-2-[2-[(2-hydroxyethyl)[(4-methoxyphenyl)sulfonyl]amino]ethoxy]-N-methyl-4-phenyl-, (2S,4S)- [ACD/Index Name]

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

DHPC1_001920 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 762.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.5±3.0 kJ/mol
Flash Point: 414.9±35.7 °C
Index of Refraction: 1.595
Molar Refractivity: 150.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 74.66
ACD/KOC (pH 5.5): 762.70
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 74.66
ACD/KOC (pH 7.4): 762.71
Polar Surface Area: 132 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 58.3±5.0 dyne/cm
Molar Volume: 441.9±5.0 cm3

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