ChemSpider 2D Image | 3-Methoxy-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-2-yl cis-4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexanecarboxylate | C30H33NO7

3-Methoxy-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-2-yl cis-4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexanecarboxylate

  • Molecular FormulaC30H33NO7
  • Average mass519.586 Da
  • Monoisotopic mass519.225708 Da
  • ChemSpider ID21834391

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

3-Methoxy-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-2-yl cis-4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexanecarboxylate [ACD/IUPAC Name]
3-Methoxy-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-2-yl-cis-4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexancarboxylat [German] [ACD/IUPAC Name]
cis-4-({[(Benzyloxy)carbonyl]amino}méthyl)cyclohexanecarboxylate de 3-méthoxy-6-oxo-7,8,9,10-tétrahydro-6H-benzo[c]chromén-2-yle [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[[[(phenylmethoxy)carbonyl]amino]methyl]-, 7,8,9,10-tetrahydro-3-methoxy-6-oxo-6H-dibenzo[b,d]pyran-2-yl ester, cis- [ACD/Index Name]
cyclohexanecarboxylic acid, 4-[[[(phenylmethoxy)carbonyl]amino]methyl]-, 7,8,9,10-tetrahydro-3-methoxy-6-oxo-6H-dibenzo[b,d]pyran-2-yl ester, trans- [ACD/Index Name]
1212115-63-3 [RN]
3-methoxy-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-2-yl trans-4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexanecarboxylate [ACD/IUPAC Name]
3-methoxy-6-oxo-7,8,9,10-tetrahydrobenzo[2,1-c]chromen-2-yl 4-{[(phenylmethoxy)carbonylamino]methyl}cyclohexanecarboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 701.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.7±3.0 kJ/mol
Flash Point: 378.3±32.9 °C
Index of Refraction: 1.610
Molar Refractivity: 139.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 5.80
ACD/BCF (pH 5.5): 14999.26
ACD/KOC (pH 5.5): 33948.33
ACD/LogD (pH 7.4): 5.80
ACD/BCF (pH 7.4): 14999.16
ACD/KOC (pH 7.4): 33948.11
Polar Surface Area: 100 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 401.3±5.0 cm3

Click to predict properties on the Chemicalize site


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