ChemSpider 2D Image | [(8R,9R,10S)-4-Formyl-6,9-dihydroxy-14-oxa-1,11-diazatetracyclo[7.4.1.0~2,7~.0~10,12~]tetradeca-2,4,6-trien-8-yl]methyl carbamate | C14H15N3O6

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

  • Molecular FormulaC14H15N3O6
  • Average mass321.285 Da
  • Monoisotopic mass321.096100 Da
  • ChemSpider ID78438380

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

[(8R,9R,10S)-4-Formyl-6,9-dihydroxy-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)-4-Formyl-6,9-dihydroxy-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-carboxaldehyde, 8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,9,9a-hexahydro-7,9-dihydroxy-, (8R,9R,9aS)- [ACD/Index Name]
Carbamate de [(8R,9R,10S)-4-formyl-6,9-dihydroxy-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-900482

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

Density: 1.7±0.1 g/cm3
Boiling Point: 572.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 299.9±32.9 °C
Index of Refraction: 1.755
Molar Refractivity: 75.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.40
ACD/LogD (pH 5.5): -1.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.43
ACD/LogD (pH 7.4): -1.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.72
Polar Surface Area: 144 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 105.8±5.0 dyne/cm
Molar Volume: 185.1±5.0 cm3

Click to predict properties on the Chemicalize site


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