ChemSpider 2D Image | (3S)-5-Methoxy-3-methyl-1-oxo-1,3-dihydronaphtho[2,3-c]furan-4-yl 2,3,4,6-tetra-O-acetyl-beta-D-glucopyranoside | C28H30O13

(3S)-5-Methoxy-3-methyl-1-oxo-1,3-dihydronaphtho[2,3-c]furan-4-yl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside

  • Molecular FormulaC28H30O13
  • Average mass574.530 Da
  • Monoisotopic mass574.168640 Da
  • ChemSpider ID8682750

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3S)-5-Methoxy-3-methyl-1-oxo-1,3-dihydronaphtho[2,3-c]furan-4-yl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside [ACD/IUPAC Name]
(3S)-5-Methoxy-3-methyl-1-oxo-1,3-dihydronaphtho[2,3-c]furan-4-yl-2,3,4,6-tetra-O-acetyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2,3,4,6-Tétra-O-acétyl-β-D-glucopyranoside de (3S)-5-méthoxy-3-méthyl-1-oxo-1,3-dihydronaphto[2,3-c]furan-4-yle [French] [ACD/IUPAC Name]
Naphtho[2,3-c]furan-1(3H)-one, 5-methoxy-3-methyl-4-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-, (3S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 683.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 287.2±31.5 °C
Index of Refraction: 1.581
Molar Refractivity: 137.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 229.10
ACD/KOC (pH 5.5): 1701.79
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 229.10
ACD/KOC (pH 7.4): 1701.79
Polar Surface Area: 159 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 413.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement