ChemSpider 2D Image | (3aR,11bR)-3'-{[5-(Dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-7-hydroxy-6'-methyl-2,6,11-trioxo-2,3,3',3a,4',5',6,6',11,11b-decahydrospiro[benzo[g]furo[3,2-c]isochromene-5,2'-pyran]-4'-yl ac etate | C30H35NO11

(3aR,11bR)-3'-{[5-(Dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-7-hydroxy-6'-methyl-2,6,11-trioxo-2,3,3',3a,4',5',6,6',11,11b-decahydrospiro[benzo[g]furo[3,2-c]isochromene-5,2'-pyran]-4'-yl ac etate

  • Molecular FormulaC30H35NO11
  • Average mass585.599 Da
  • Monoisotopic mass585.221008 Da
  • ChemSpider ID78445134

  • defined stereocentres - 2 of 9 defined stereocentres

More details:

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

(3aR,11bR)-3'-{[5-(Dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-7-hydroxy-6'-methyl-2,6,11-trioxo-2,3,3',3a,4',5',6,6',11,11b-decahydrospiro[benzo[g]furo[3,2-c]isochromene-5,2'-pyran]-4'-yl ac etate [ACD/IUPAC Name]
Spiro[5H-furo[3,2-b]naphtho[2,3-d]pyran-5,2'-[2H]pyran]-2,6,11(3H)-trione, 4'-(acetyloxy)-3'-[[5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]oxy]-3',3a,4',5',6',11b-hexahydro-7-hydroxy-6'-methyl- , (3aR,11bR)- [ACD/Index Name]
3'-O-α-D-Forosaminyl-(+)-griseusin A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 781.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.7±3.0 kJ/mol
Flash Point: 426.3±32.9 °C
Index of Refraction: 1.614
Molar Refractivity: 143.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 6.30
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 8.79
ACD/KOC (pH 5.5): 26.89
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 48.49
ACD/KOC (pH 7.4): 148.28
Polar Surface Area: 147 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 411.1±5.0 cm3

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