ChemSpider 2D Image | 1-{(2R,3R,4S)-2-[(1R)-1,2-Dihydroxyethyl]-3,4-dihydroxy-1-oxa-6-azacyclododecan-6-yl}-2-ethoxyethanone | C16H31NO7

1-{(2R,3R,4S)-2-[(1R)-1,2-Dihydroxyethyl]-3,4-dihydroxy-1-oxa-6-azacyclododecan-6-yl}-2-ethoxyethanone

  • Molecular FormulaC16H31NO7
  • Average mass349.420 Da
  • Monoisotopic mass349.210052 Da
  • ChemSpider ID80830302

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-{(2R,3R,4S)-2-[(1R)-1,2-Dihydroxyethyl]-3,4-dihydroxy-1-oxa-6-azacyclododecan-6-yl}-2-ethoxyethanon [German] [ACD/IUPAC Name]
1-{(2R,3R,4S)-2-[(1R)-1,2-Dihydroxyethyl]-3,4-dihydroxy-1-oxa-6-azacyclododecan-6-yl}-2-ethoxyethanone [ACD/IUPAC Name]
1-{(2R,3R,4S)-2-[(1R)-1,2-Dihydroxyéthyl]-3,4-dihydroxy-1-oxa-6-azacyclododécan-6-yl}-2-éthoxyéthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-1-oxa-6-azacyclododec-6-yl]-2-ethoxy- [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: 589.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.0±6.0 kJ/mol
Flash Point: 310.3±30.1 °C
Index of Refraction: 1.511
Molar Refractivity: 87.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.20
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.45
ACD/LogD (pH 7.4): -0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.45
Polar Surface Area: 120 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 290.2±3.0 cm3

Click to predict properties on the Chemicalize site


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