ChemSpider 2D Image | 2,6-Dimethoxy-4-[(5R,5aR,8aR)-6-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]phenyl {2-[4-(4-hydroxyphenyl)-1-piperazinyl]-2-oxoethyl}carbamate | C34H35N3O10

2,6-Dimethoxy-4-[(5R,5aR,8aR)-6-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]phenyl {2-[4-(4-hydroxyphenyl)-1-piperazinyl]-2-oxoethyl}carbamate

  • Molecular FormulaC34H35N3O10
  • Average mass645.656 Da
  • Monoisotopic mass645.232239 Da
  • ChemSpider ID26617876

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

{2-[4-(4-Hydroxyphényl)-1-pipérazinyl]-2-oxoéthyl}carbamate de 2,6-diméthoxy-4-[(5R,5aR,8aR)-6-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphto[2,3-d][1,3]dioxol-5-yl]phényle [French] [ACD/IUPAC Name]
2,6-Dimethoxy-4-[(5R,5aR,8aR)-6-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]phenyl {2-[4-(4-hydroxyphenyl)-1-piperazinyl]-2-oxoethyl}carbamate [ACD/IUPAC Name]
2,6-Dimethoxy-4-[(5R,5aR,8aR)-6-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]phenyl-{2-[4-(4-hydroxyphenyl)-1-piperazinyl]-2-oxoethyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[2-[4-(4-hydroxyphenyl)-1-piperazinyl]-2-oxoethyl]-, 4-[(5R,5aR,8aR)-5,5a,6,8,8a,9-hexahydro-6-oxofuro[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-5-yl]-2,6-dimethoxyphenyl ester [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: 889.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.7±3.0 kJ/mol
Flash Point: 491.8±34.3 °C
Index of Refraction: 1.629
Molar Refractivity: 165.4±0.3 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.05
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 44.76
ACD/KOC (pH 5.5): 528.14
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 44.91
ACD/KOC (pH 7.4): 529.93
Polar Surface Area: 145 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 59.3±3.0 dyne/cm
Molar Volume: 465.3±3.0 cm3

Click to predict properties on the Chemicalize site


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