Found 9 results

Search term: MF = 'C_{32}H_{46}N_{6}O_{9}'
ChemSpider 2D Image | (1S,4S,7S,10R,16R,20S)-4-Benzyl-20-hydroxy-10-isobutyl-7,8-dimethyl-14-[(2-oxo-1,3-oxazolidin-3-yl)acetyl]-17-oxa-2,5,8,11,14-pentaazabicyclo[14.3.1]icosane-3,6,9,12-tetrone | C32H46N6O9

(1S,4S,7S,10R,16R,20S)-4-Benzyl-20-hydroxy-10-isobutyl-7,8-dimethyl-14-[(2-oxo-1,3-oxazolidin-3-yl)acetyl]-17-oxa-2,5,8,11,14-pentaazabicyclo[14.3.1]icosane-3,6,9,12-tetrone

  • Molecular FormulaC32H46N6O9
  • Average mass658.742 Da
  • Monoisotopic mass658.332642 Da
  • ChemSpider ID71342252

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,4S,7S,10R,16R,20S)-4-Benzyl-20-hydroxy-10-isobutyl-7,8-dimethyl-14-[(2-oxo-1,3-oxazolidin-3-yl)acetyl]-17-oxa-2,5,8,11,14-pentaazabicyclo[14.3.1]icosan-3,6,9,12-tetron [German] [ACD/IUPAC Name]
(1S,4S,7S,10R,16R,20S)-4-Benzyl-20-hydroxy-10-isobutyl-7,8-dimethyl-14-[(2-oxo-1,3-oxazolidin-3-yl)acetyl]-17-oxa-2,5,8,11,14-pentaazabicyclo[14.3.1]icosane-3,6,9,12-tetrone [ACD/IUPAC Name]
(1S,4S,7S,10R,16R,20S)-4-Benzyl-20-hydroxy-10-isobutyl-7,8-diméthyl-14-[2-(2-oxo-1,3-oxazolidin-3-yl)acétyl]-17-oxa-2,5,8,11,14-pentaazabicyclo[14.3.1]icosane-3,6,9,12-tétrone [French] [ACD/IUPAC Name]
17-Oxa-2,5,8,11,14-pentaazabicyclo[14.3.1]eicosane-3,6,9,12-tetrone, 20-hydroxy-7,8-dimethyl-10-(2-methylpropyl)-14-[2-(2-oxo-3-oxazolidinyl)acetyl]-4-(phenylmethyl)-, (1S,4S,7S,10R,16R,20S)- [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: 1061.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 162.9±3.0 kJ/mol
Flash Point: 595.7±34.3 °C
Index of Refraction: 1.526
Molar Refractivity: 167.0±0.3 cm3
#H bond acceptors: 15
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.14
ACD/LogD (pH 5.5): -0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.95
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.95
Polar Surface Area: 187 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 543.9±3.0 cm3

Click to predict properties on the Chemicalize site


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