ChemSpider 2D Image | (5R,5aR,8aS,9S)-5-(4-Hydroxy-3,5-dimethoxyphenyl)-9-[(2-methoxy-4-nitrophenyl)amino]-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one | C28H26N2O10

(5R,5aR,8aS,9S)-5-(4-Hydroxy-3,5-dimethoxyphenyl)-9-[(2-methoxy-4-nitrophenyl)amino]-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one

  • Molecular FormulaC28H26N2O10
  • Average mass550.513 Da
  • Monoisotopic mass550.158752 Da
  • ChemSpider ID2276156

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5R,5aR,8aS,9S)-5-(4-Hydroxy-3,5-dimethoxyphenyl)-9-[(2-methoxy-4-nitrophenyl)amino]-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-on [German] [ACD/IUPAC Name]
(5R,5aR,8aS,9S)-5-(4-Hydroxy-3,5-dimethoxyphenyl)-9-[(2-methoxy-4-nitrophenyl)amino]-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one [ACD/IUPAC Name]
(5R,5aR,8aS,9S)-5-(4-Hydroxy-3,5-diméthoxyphényl)-9-[(2-méthoxy-4-nitrophényl)amino]-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-[(2-methoxy-4-nitrophenyl)amino]-, (5R,5aR,8aS,9S)- [ACD/Index Name]
(5R,5aR,8aS,9S)-5-(4-Hydroxy-3,5-dimethoxy-phenyl)-9-(2-methoxy-4-nitro-phenylamino)-5,8,8a,9-tetrahydro-5aH-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6-one
5-(4-Hydroxy-3,5-dimethoxy-phenyl)-9-(2-methoxy-4-nitro-phenylamino)-5,8,8a,9-tetrahydro-5aH-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6-one

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

AIDS169243 [DBID]
AIDS-169243 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 762.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.0±3.0 kJ/mol
Flash Point: 415.1±32.9 °C
Index of Refraction: 1.659
Molar Refractivity: 140.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 213.38
ACD/KOC (pH 5.5): 1617.40
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 212.80
ACD/KOC (pH 7.4): 1612.96
Polar Surface Area: 151 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 63.0±3.0 dyne/cm
Molar Volume: 380.6±3.0 cm3

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