ChemSpider 2D Image | S-(1-{[17-(Cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]amino}-4-methoxy-1,4-dioxo-2-butanyl)cysteine | C28H37N3O8S

S-(1-{[17-(Cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]amino}-4-methoxy-1,4-dioxo-2-butanyl)cysteine

  • Molecular FormulaC28H37N3O8S
  • Average mass575.674 Da
  • Monoisotopic mass575.230164 Da
  • ChemSpider ID24658585

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

Butanoic acid, 3-[(2-amino-2-carboxyethyl)thio]-4-[[17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl]amino]-4-oxo-, 1-methyl ester [ACD/Index Name]
S-(1-{[17-(Cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]amino}-4-methoxy-1,4-dioxo-2-butanyl)cystein [German] [ACD/IUPAC Name]
S-(1-{[17-(Cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]amino}-4-methoxy-1,4-dioxo-2-butanyl)cysteine [ACD/IUPAC Name]
S-(1-{[17-(Cyclopropylméthyl)-3,14-dihydroxy-4,5-époxymorphinane-6-yl]amino}-4-méthoxy-1,4-dioxo-2-butanyl)cystéine [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 845.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.7±3.0 kJ/mol
Flash Point: 464.9±34.3 °C
Index of Refraction: 1.687
Molar Refractivity: 145.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 2.42
ACD/LogD (pH 5.5): -2.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 197 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 83.1±5.0 dyne/cm
Molar Volume: 383.1±5.0 cm3

Click to predict properties on the Chemicalize site


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