ChemSpider 2D Image | 9-[(1-Benzyl-4-piperidinyl)amino]-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one | C33H36N2O7

9-[(1-Benzyl-4-piperidinyl)amino]-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one

  • Molecular FormulaC33H36N2O7
  • Average mass572.648 Da
  • Monoisotopic mass572.252258 Da
  • ChemSpider ID3019518

More details:

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

9-[(1-Benzyl-4-piperidinyl)amino]-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-on [German] [ACD/IUPAC Name]
9-[(1-Benzyl-4-piperidinyl)amino]-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one [ACD/IUPAC Name]
9-[(1-Benzyl-4-pipéridinyl)amino]-5-(4-hydroxy-3,5-diméthoxyphényl)-5,8,8a,9-tétrahydrofuro[3',4':6,7]naphto[2,3-d][1,3]dioxol-6(5aH)-one [French] [ACD/IUPAC Name]
Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-[[1-(phenylmethyl)-4-piperidinyl]amino]- [ACD/Index Name]
(5R,5aR,8aS,9S)-9-[(1-benzylpiperidin-4-yl)amino]-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one
18595-13-6 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 729.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 395.1±32.9 °C
Index of Refraction: 1.669
Molar Refractivity: 155.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.78
ACD/LogD (pH 5.5): -0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 10.88
ACD/KOC (pH 7.4): 102.31
Polar Surface Area: 99 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 67.5±5.0 dyne/cm
Molar Volume: 415.8±5.0 cm3

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