ChemSpider 2D Image | caminoside A | C47H84O21

caminoside A

  • Molecular FormulaC47H84O21
  • Average mass985.157 Da
  • Monoisotopic mass984.550537 Da
  • ChemSpider ID16737638

  • defined stereocentres - 20 of 21 defined stereocentres

More details:

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

2-Nonadecanone, 10-[[O-6-deoxy-α-L-glucopyranosyl-(1->2)-O-[6-deoxy-β-D-talopyranosyl-(1->;6)]-O-3-O-(1-oxobutyl)-β-D-glucopyranosyl-(1->2)-β-D-glucopyranosyl]oxy]- [ACD/Index Name]
2-Oxo-10-nonadecanyl 6-deoxy-α-L-glucopyranosyl-(1->2)-[6-deoxy-β-D-talopyranosyl-(1->6)]-3-O-butyryl-β-D-glucopyranosyl-(1->;2)-β-D-glucopyranoside [ACD/IUPAC Name]
2-Oxo-10-nonadecanyl-6-desoxy-α-L-glucopyranosyl-(1->2)-[6-desoxy-β-D-talopyranosyl-(1->6)]-3-O-butyryl-β-D-glucopyranosyl-(1->2)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-glucopyranosyl-(1->2)-[6-désoxy-β-D-talopyranosyl-(1->6)]-3-O-butyryl-β-D-glucopyranosyl-(1->;2)-β-D-glucopyranoside de 2-oxo-10-nonadécanyle [French] [ACD/IUPAC Name]
caminoside A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1043.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 172.8±6.0 kJ/mol
Flash Point: 291.0±27.8 °C
Index of Refraction: 1.562
Molar Refractivity: 242.3±0.4 cm3
#H bond acceptors: 21
#H bond donors: 10
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 4
ACD/LogP: 8.27
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1985.26
ACD/KOC (pH 5.5): 7978.06
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1985.24
ACD/KOC (pH 7.4): 7977.99
Polar Surface Area: 320 Å2
Polarizability: 96.1±0.5 10-24cm3
Surface Tension: 64.2±5.0 dyne/cm
Molar Volume: 747.5±5.0 cm3

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