ChemSpider 2D Image | [(8R,9R,10S,12S)-6,9-Dihydroxy-4-(hydroxymethyl)-14-oxa-1,11-diazatetracyclo[7.4.1.0~2,7~.0~10,12~]tetradeca-2,4,6-trien-8-yl]methyl carbamate | C14H17N3O6

[(8R,9R,10S,12S)-6,9-Dihydroxy-4-(hydroxymethyl)-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2,4,6-trien-8-yl]methyl carbamate

  • Molecular FormulaC14H17N3O6
  • Average mass323.301 Da
  • Monoisotopic mass323.111725 Da
  • ChemSpider ID78436950

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(8R,9R,10S,12S)-6,9-Dihydroxy-4-(hydroxymethyl)-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2,4,6-trien-8-yl]methyl carbamate [ACD/IUPAC Name]
[(8R,9R,10S,12S)-6,9-Dihydroxy-4-(hydroxymethyl)-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2,4,6-trien-8-yl]methylcarbamat [German] [ACD/IUPAC Name]
3,9-Epoxy-3H-azirino[2,3-c][1]benzazocine-5,8-dimethanol, 1,1a,2,8,9,9a-hexahydro-7,9-dihydroxy-, 8-carbamate, (1aS,8R,9R,9aS)- [ACD/Index Name]
Carbamate de [(8R,9R,10S,12S)-6,9-dihydroxy-4-(hydroxyméthyl)-14-oxa-1,11-diazatétracyclo[7.4.1.02,7.010,12]tétradéca-2,4,6-trién-8-yl]méthyle [French] [ACD/IUPAC Name]
FR-66979

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

Density: 1.7±0.1 g/cm3
Boiling Point: 613.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 324.7±34.3 °C
Index of Refraction: 1.769
Molar Refractivity: 77.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -2.53
ACD/LogD (pH 5.5): -2.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.40
ACD/LogD (pH 7.4): -2.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.60
Polar Surface Area: 147 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 111.0±5.0 dyne/cm
Molar Volume: 185.4±5.0 cm3

Click to predict properties on the Chemicalize site


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