ChemSpider 2D Image | GL-331 | C27H24N2O9

GL-331

  • Molecular FormulaC27H24N2O9
  • Average mass520.487 Da
  • Monoisotopic mass520.148193 Da
  • ChemSpider ID130549

  • 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-[(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-[(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-[(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]
0I81858VSZ
127882-73-9 [RN]
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-[(4-nitrophenyl)amino]-, (5R,5aR,8aS,9S)- [ACD/Index Name]
GL-331
(5R-(5α,5aβ,8aα,9β))-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4-nitrophenyl)amino)furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one
(5R,5aR,8aS,9S)-5-(4-Hydroxy-3,5-dimethoxy-phenyl)-9-(4-nitro-phenylamino)-5,8,8a,9-tetrahydro-5aH-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6-one
(5R,5aR,8aS,9S)-5-(4-Hydroxy-3,5-dimethoxy-phenyl)-9-(4-nitro-phenylamino)-5,8,8a,9-tetrahydro-5aH-furo[3'',4'':6,7]naphtho[2,3-d][1,3]dioxol-6-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS058893 [DBID]
AIDS-058893 [DBID]
NSC 628672 [DBID]
NSC628672 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 751.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.4±3.0 kJ/mol
Flash Point: 408.3±32.9 °C
Index of Refraction: 1.673
Molar Refractivity: 133.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 169.83
ACD/KOC (pH 5.5): 1373.55
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 169.36
ACD/KOC (pH 7.4): 1369.78
Polar Surface Area: 141 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 65.3±3.0 dyne/cm
Molar Volume: 356.6±3.0 cm3

Click to predict properties on the Chemicalize site


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