ChemSpider 2D Image | GRANTALINE | C18H25NO6

GRANTALINE

  • Molecular FormulaC18H25NO6
  • Average mass351.394 Da
  • Monoisotopic mass351.168182 Da
  • ChemSpider ID52085448

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(9R,9aR,11aR,13aR,13bR)-9-Hydroxy-9,9a,11,11-tetramethyl-1,2,4,6,9,9a,11,11a,13a,13b-decahydro-8H,12H-oxeto[2',3':9,10][1,6]dioxacycloundecino[2,3,4-gh]pyrrolizin-8,12-dion [German] [ACD/IUPAC Name]
(9R,9aR,11aR,13aR,13bR)-9-Hydroxy-9,9a,11,11-tetramethyl-1,2,4,6,9,9a,11,11a,13a,13b-decahydro-8H,12H-oxeto[2',3':9,10][1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-8,12-dione [ACD/IUPAC Name]
(9R,9aR,11aR,13aR,13bR)-9-Hydroxy-9,9a,11,11-tétraméthyl-1,2,4,6,9,9a,11,11a,13a,13b-décahydro-8H,12H-oxéto[2',3':9,10][1,6]dioxacycloundécino[2,3,4-gh]pyrrolizine-8,12-dione [French] [ACD/IUPAC Name]
83482-61-5 [RN]
8H,12H-Oxeto[2',3':9,10][1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-8,12-dione, 1,2,4,6,9,9a,11,11a,13a,13b-decahydro-9-hydroxy-9,9a,11,11-tetramethyl-, (9R,9aR,11aR,13aR,13bR)- [ACD/Index Name]
GRANTALINE

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

FT4Y4JG3BR [DBID]
UNII:FT4Y4JG3BR [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 567.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.9±6.0 kJ/mol
Flash Point: 297.0±30.1 °C
Index of Refraction: 1.584
Molar Refractivity: 87.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.57
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 1.60
ACD/KOC (pH 5.5): 30.73
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 7.69
ACD/KOC (pH 7.4): 147.76
Polar Surface Area: 85 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 262.1±5.0 cm3

Click to predict properties on the Chemicalize site


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