ChemSpider 2D Image | (1R,3R,4Z,6Z,9R,10R,13R,15R,18Z,21S,23R)-13-Hydroxy-15-(hydroxymethyl)-3,10-dimethyl-17-oxo-16,25,26-trioxatricyclo[19.3.1.1~9,12~]hexacosa-4,6,18-trien-23-yl 6-deoxy-2-O-methyl-alpha-L-mannopyranosid
e | C33H52O11

(1R,3R,4Z,6Z,9R,10R,13R,15R,18Z,21S,23R)-13-Hydroxy-15-(hydroxymethyl)-3,10-dimethyl-17-oxo-16,25,26-trioxatricyclo[19.3.1.19,12]hexacosa-4,6,18-trien-23-yl 6-deoxy-2-O-methyl-α-L-mannopyranosid e

  • Molecular FormulaC33H52O11
  • Average mass624.759 Da
  • Monoisotopic mass624.350952 Da
  • ChemSpider ID57641770
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 13 of 14 defined stereocentres


More details:






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

(1R,3R,4Z,6Z,9R,10R,13R,15R,18Z,21S,23R)-13-Hydroxy-15-(hydroxymethyl)-3,10-dimethyl-17-oxo-16,25,26-trioxatricyclo[19.3.1.19,12]hexacosa-4,6,18-trien-23-yl 6-deoxy-2-O-methyl-α-L-mannopyranosid e [ACD/IUPAC Name]
(1R,3R,4Z,6Z,9R,10R,13R,15R,18Z,21S,23R)-13-Hydroxy-15-(hydroxymethyl)-3,10-dimethyl-17-oxo-16,25,26-trioxatricyclo[19.3.1.19,12]hexacosa-4,6,18-trien-23-yl-6-desoxy-2-O-methyl-α-L-mannopyranosi d [German] [ACD/IUPAC Name]
6-Désoxy-2-O-méthyl-α-L-mannopyranoside de (1R,3R,4Z,6Z,9R,10R,13R,15R,18Z,21S,23R)-13-hydroxy-15-(hydroxyméthyl)-3,10-diméthyl-17-oxo-16,25,26-trioxatricyclo[19.3.1.19,12]hexacosa-4,6,18-trién- 23-yle [French] [ACD/IUPAC Name]
1384352-14-0 [RN]
mandelalide A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 805.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.3±6.0 kJ/mol
Flash Point: 250.3±27.8 °C
Index of Refraction: 1.561
Molar Refractivity: 162.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 69.46
ACD/KOC (pH 5.5): 724.29
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 69.46
ACD/KOC (pH 7.4): 724.28
Polar Surface Area: 153 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 502.4±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement