ChemSpider 2D Image | {(2R,3R,4S)-2-[(1R)-1,2-Dihydroxyethyl]-3,4-dihydroxy-1-oxa-6-azacyclododecan-6-yl}(1-methyl-1H-imidazol-4-yl)methanone | C17H29N3O6

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

  • Molecular FormulaC17H29N3O6
  • Average mass371.429 Da
  • Monoisotopic mass371.205627 Da
  • ChemSpider ID80830314

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

{(2R,3R,4S)-2-[(1R)-1,2-Dihydroxyethyl]-3,4-dihydroxy-1-oxa-6-azacyclododecan-6-yl}(1-methyl-1H-imidazol-4-yl)methanon [German] [ACD/IUPAC Name]
{(2R,3R,4S)-2-[(1R)-1,2-Dihydroxyethyl]-3,4-dihydroxy-1-oxa-6-azacyclododecan-6-yl}(1-methyl-1H-imidazol-4-yl)methanone [ACD/IUPAC Name]
{(2R,3R,4S)-2-[(1R)-1,2-Dihydroxyéthyl]-3,4-dihydroxy-1-oxa-6-azacyclododécan-6-yl}(1-méthyl-1H-imidazol-4-yl)méthanone [French] [ACD/IUPAC Name]
Methanone, [(2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-1-oxa-6-azacyclododec-6-yl](1-methyl-1H-imidazol-4-yl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 692.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 372.5±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 92.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.32
ACD/LogD (pH 5.5): -1.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.72
ACD/LogD (pH 7.4): -1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.97
Polar Surface Area: 128 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 55.2±7.0 dyne/cm
Molar Volume: 267.5±7.0 cm3

Click to predict properties on the Chemicalize site


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