ChemSpider 2D Image | Methyl (2E,4S)-4-{(3S,4R)-3-methoxy-2-oxo-4-[(2R,3R)-3-phenyl-2-oxiranyl]-1-azetidinyl}-4-[(4S,4'R,5R)-2,2,2',2'-tetramethyl-4,4'-bi-1,3-dioxol-5-yl]-2-butenoate | C27H35NO9

Methyl (2E,4S)-4-{(3S,4R)-3-methoxy-2-oxo-4-[(2R,3R)-3-phenyl-2-oxiranyl]-1-azetidinyl}-4-[(4S,4'R,5R)-2,2,2',2'-tetramethyl-4,4'-bi-1,3-dioxol-5-yl]-2-butenoate

  • Molecular FormulaC27H35NO9
  • Average mass517.568 Da
  • Monoisotopic mass517.231201 Da
  • ChemSpider ID9115493

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2E,4S)-4-{(3S,4R)-3-Méthoxy-2-oxo-4-[(2R,3R)-3-phényl-2-oxiranyl]-1-azétidinyl}-4-[(4S,4'R,5R)-2,2,2',2'-tétraméthyl-4,4'-bi-1,3-dioxol-5-yl]-2-buténoate de méthyle [French] [ACD/IUPAC Name]
Methyl (2E,4S)-4-{(3S,4R)-3-methoxy-2-oxo-4-[(2R,3R)-3-phenyl-2-oxiranyl]-1-azetidinyl}-4-[(4S,4'R,5R)-2,2,2',2'-tetramethyl-4,4'-bi-1,3-dioxol-5-yl]-2-butenoate [ACD/IUPAC Name]
Methyl-(2E,4S)-4-{(3S,4R)-3-methoxy-2-oxo-4-[(2R,3R)-3-phenyl-2-oxiranyl]-1-azetidinyl}-4-[(4S,4'R,5R)-2,2,2',2'-tetramethyl-4,4'-bi-1,3-dioxol-5-yl]-2-butenoat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 638.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 340.2±31.5 °C
Index of Refraction: 1.576
Molar Refractivity: 131.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 134.37
ACD/KOC (pH 5.5): 1161.55
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 134.37
ACD/KOC (pH 7.4): 1161.55
Polar Surface Area: 105 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 52.0±5.0 dyne/cm
Molar Volume: 398.5±5.0 cm3

Click to predict properties on the Chemicalize site


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