ChemSpider 2D Image | 6-{[2,6-Dideoxy-2-(methylamino)hexopyranosyl]oxy}-1a-(2-oxo-1,3-dioxolan-4-yl)-2,3,8,9-tetradehydro-1a,5,6,9a-tetrahydrocyclopenta[5,6]cyclonona[1,2-b]oxiren-5-yl 2-hydroxy-7-methoxy-5-methyl-1-naphth oate | C35H33NO12

6-{[2,6-Dideoxy-2-(methylamino)hexopyranosyl]oxy}-1a-(2-oxo-1,3-dioxolan-4-yl)-2,3,8,9-tetradehydro-1a,5,6,9a-tetrahydrocyclopenta[5,6]cyclonona[1,2-b]oxiren-5-yl 2-hydroxy-7-methoxy-5-methyl-1-naphth oate

  • Molecular FormulaC35H33NO12
  • Average mass659.636 Da
  • Monoisotopic mass659.200256 Da
  • ChemSpider ID3817440

More details:

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

1-Naphthalenecarboxylic acid, 2-hydroxy-7-methoxy-5-methyl-, 2,3,8,9-tetradehydro-6-[[2,6-dideoxy-2-(methylamino)hexopyranosyl]oxy]-1a,5,6,9a-tetrahydro-1a-(2-oxo-1,3-dioxolan-4-yl)cyclopenta[5,6]cycl onon[1,2-b]oxiren-5-yl ester [ACD/Index Name]
2-Hydroxy-7-méthoxy-5-méthyl-1-naphtoate de 6-{[2,6-didésoxy-2-(méthylamino)hexopyranosyl]oxy}-1a-(2-oxo-1,3-dioxolan-4-yl)-2,3,8,9-tétradéhydro-1a,5,6,9a-tétrahydrocyclopenta[5,6]cyclonona[1,2-b]oxir én-5-yle [French] [ACD/IUPAC Name]
6-{[2,6-Dideoxy-2-(methylamino)hexopyranosyl]oxy}-1a-(2-oxo-1,3-dioxolan-4-yl)-2,3,8,9-tetradehydro-1a,5,6,9a-tetrahydrocyclopenta[5,6]cyclonona[1,2-b]oxiren-5-yl 2-hydroxy-7-methoxy-5-methyl-1-naphth oate [ACD/IUPAC Name]
6-{[2,6-Didesoxy-2-(methylamino)hexopyranosyl]oxy}-1a-(2-oxo-1,3-dioxolan-4-yl)-2,3,8,9-tetradehydro-1a,5,6,9a-tetrahydrocyclopenta[5,6]cyclonona[1,2-b]oxiren-5-yl-2-hydroxy-7-methoxy-5-methyl-1-napht hoat [German] [ACD/IUPAC 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: 922.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.5±3.0 kJ/mol
Flash Point: 511.7±34.3 °C
Index of Refraction: 1.703
Molar Refractivity: 165.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 6.49
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 8.51
ACD/KOC (pH 5.5): 28.90
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 281.11
ACD/KOC (pH 7.4): 954.78
Polar Surface Area: 175 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 82.8±5.0 dyne/cm
Molar Volume: 427.5±5.0 cm3

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