ChemSpider 2D Image | (1aS,5R,6R,6aE,9aR)-6-[(6-Deoxy-alpha-D-galactopyranosyl)oxy]-1a-[(4R)-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-naphthoate | C34H30O13

(1aS,5R,6R,6aE,9aR)-6-[(6-Deoxy-α-D-galactopyranosyl)oxy]-1a-[(4R)-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-naphthoate

  • Molecular FormulaC34H30O13
  • Average mass646.594 Da
  • Monoisotopic mass646.168640 Da
  • ChemSpider ID8851049

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1aS,5R,6R,6aE,9aR)-6-[(6-Deoxy-α-D-galactopyranosyl)oxy]-1a-[(4R)-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-naphthoate [ACD/IUPAC Name]
(1aS,5R,6R,6aE,9aR)-6-[(6-Desoxy-α-D-galactopyranosyl)oxy]-1a-[(4R)-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-naphthoat [German] [ACD/IUPAC Name]
1-Naphthalenecarboxylic acid, 2-hydroxy-7-methoxy-5-methyl-, (1aS,5R,6R,6aE,9aR)-2,3,8,9-tetradehydro-6-[(6-deoxy-α-D-galactopyranosyl)oxy]-1a,5,6,9a-tetrahydro-1a-[(4R)-2-oxo-1,3-dioxolan-4-yl]cy clopenta[5,6]cyclonon[1,2-b]oxiren-5-yl ester [ACD/Index Name]
2-Hydroxy-7-méthoxy-5-méthyl-1-naphtoate de (1aS,5R,6R,6aE,9aR)-6-[(6-désoxy-α-D-galactopyranosyl)oxy]-1a-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2,3,8,9-tétradéhydro-1a,5,6,9a-tétrahydrocyclopenta[5,6]cyc lonona[1,2-b]oxirén-5-yle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 927.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.3±3.0 kJ/mol
Flash Point: 300.1±27.8 °C
Index of Refraction: 1.723
Molar Refractivity: 159.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 6.70
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2906.24
ACD/KOC (pH 5.5): 10472.09
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2092.15
ACD/KOC (pH 7.4): 7538.67
Polar Surface Area: 183 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 90.7±5.0 dyne/cm
Molar Volume: 401.3±5.0 cm3

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