ChemSpider 2D Image | 1-Butyl-7-hydroxy-5-methyl-2,8,13-trioxo-1,2,8,13-tetrahydro-3aH-benzo[b][1,3]oxazolo[3,2-f]phenanthridin-12-yl 2,6-dideoxy-alpha-L-ribo-hexopyranoside | C30H31NO9

1-Butyl-7-hydroxy-5-methyl-2,8,13-trioxo-1,2,8,13-tetrahydro-3aH-benzo[b][1,3]oxazolo[3,2-f]phenanthridin-12-yl 2,6-dideoxy-α-L-ribo-hexopyranoside

  • Molecular FormulaC30H31NO9
  • Average mass549.568 Da
  • Monoisotopic mass549.199890 Da
  • ChemSpider ID59004541

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

1-Butyl-7-hydroxy-5-methyl-2,8,13-trioxo-1,2,8,13-tetrahydro-3aH-benzo[b][1,3]oxazolo[3,2-f]phenanthridin-12-yl 2,6-dideoxy-α-L-ribo-hexopyranoside [ACD/IUPAC Name]
1-Butyl-7-hydroxy-5-methyl-2,8,13-trioxo-1,2,8,13-tetrahydro-3aH-benzo[b][1,3]oxazolo[3,2-f]phenanthridin-12-yl-2,6-didesoxy-α-L-ribo-hexopyranosid [German] [ACD/IUPAC Name]
2,6-Didésoxy-α-L-ribo-hexopyranoside de 1-butyl-7-hydroxy-5-méthyl-2,8,13-trioxo-1,2,8,13-tétrahydro-3aH-benzo[b][1,3]oxazolo[3,2-f]phénanthridin-12-yle [French] [ACD/IUPAC Name]
8H-Benz[b]oxazolo[3,2-f]phenanthridine-2,8,13(1H,3aH)-trione, 1-butyl-12-[(2,6-dideoxy-α-L-ribo-hexopyranosyl)oxy]-7-hydroxy-5-methyl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 847.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.1±3.0 kJ/mol
Flash Point: 466.6±34.3 °C
Index of Refraction: 1.684
Molar Refractivity: 140.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 191.42
ACD/KOC (pH 5.5): 1494.45
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 140.41
ACD/KOC (pH 7.4): 1096.20
Polar Surface Area: 143 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 77.5±5.0 dyne/cm
Molar Volume: 368.6±5.0 cm3

Click to predict properties on the Chemicalize site


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