ChemSpider 2D Image | (18S,21S)-4,26-Dimethoxy-21-methyl-14-[(2-oxo-1,3-oxazolidin-3-yl)acetyl]-18-(2-phenylethyl)-2-oxa-9,14,17,20,23-pentaazatricyclo[23.2.2.1~3,7~]triaconta-1(27),3(30),4,6,25,28-hexaene-8,16,19,22-tetro ne | C40H48N6O10

(18S,21S)-4,26-Dimethoxy-21-methyl-14-[(2-oxo-1,3-oxazolidin-3-yl)acetyl]-18-(2-phenylethyl)-2-oxa-9,14,17,20,23-pentaazatricyclo[23.2.2.13,7]triaconta-1(27),3(30),4,6,25,28-hexaene-8,16,19,22-tetro ne

  • Molecular FormulaC40H48N6O10
  • Average mass772.843 Da
  • Monoisotopic mass772.343201 Da
  • ChemSpider ID81382494

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(18S,21S)-4,26-Dimethoxy-21-methyl-14-[(2-oxo-1,3-oxazolidin-3-yl)acetyl]-18-(2-phenylethyl)-2-oxa-9,14,17,20,23-pentaazatricyclo[23.2.2.13,7]triaconta-1(27),3(30),4,6,25,28-hexaen-8,16,19,22-tetron [German] [ACD/IUPAC Name]
(18S,21S)-4,26-Dimethoxy-21-methyl-14-[(2-oxo-1,3-oxazolidin-3-yl)acetyl]-18-(2-phenylethyl)-2-oxa-9,14,17,20,23-pentaazatricyclo[23.2.2.13,7]triaconta-1(27),3(30),4,6,25,28-hexaene-8,16,19,22-tetro ne [ACD/IUPAC Name]
(18S,21S)-4,26-Diméthoxy-21-méthyl-14-[2-(2-oxo-1,3-oxazolidin-3-yl)acétyl]-18-(2-phényléthyl)-2-oxa-9,14,17,20,23-pentaazatricyclo[23.2.2.13,7]triaconta-1(27),3(30),4,6,25,28-hexaène-8,16,19,22-tét rone [French] [ACD/IUPAC Name]
2-Oxa-9,14,17,20,23-pentaazatricyclo[23.2.2.13,7]triaconta-3,5,7(30),25,27,28-hexaene-8,16,19,22-tetrone, 4,26-dimethoxy-21-methyl-14-[2-(2-oxo-3-oxazolidinyl)acetyl]-18-(2-phenylethyl)-, (18S,21S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1170.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 173.7±3.0 kJ/mol
Flash Point: 661.8±34.3 °C
Index of Refraction: 1.540
Molar Refractivity: 201.8±0.3 cm3
#H bond acceptors: 16
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.42
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.08
ACD/KOC (pH 5.5): 36.73
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.08
ACD/KOC (pH 7.4): 36.73
Polar Surface Area: 194 Å2
Polarizability: 80.0±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 643.0±3.0 cm3

Click to predict properties on the Chemicalize site


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