ChemSpider 2D Image | (2S,3R)-2,3,4-Trihydroxybutyl 2,4,6-tri-O-acetyl-3-O-(13-carboxytridecanoyl)-beta-D-mannopyranoside | C30H50O15

(2S,3R)-2,3,4-Trihydroxybutyl 2,4,6-tri-O-acetyl-3-O-(13-carboxytridecanoyl)-β-D-mannopyranoside

  • Molecular FormulaC30H50O15
  • Average mass650.709 Da
  • Monoisotopic mass650.314941 Da
  • ChemSpider ID29814632

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2S,3R)-2,3,4-Trihydroxybutyl 2,4,6-tri-O-acetyl-3-O-(13-carboxytridecanoyl)-β-D-mannopyranoside [ACD/IUPAC Name]
(2S,3R)-2,3,4-Trihydroxybutyl-2,4,6-tri-O-acetyl-3-O-(13-carboxytridecanoyl)-β-D-mannopyranosid [German] [ACD/IUPAC Name]
2,4,6-Tri-O-acétyl-3-O-(13-carboxytridecanoyl)-β-D-mannopyranoside de (2S,3R)-2,3,4-trihydroxybutyle [French] [ACD/IUPAC Name]
β-D-Mannopyranoside, (2S,3R)-2,3,4-trihydroxybutyl 3-O-(13-carboxy-1-oxotridecyl)-, triacetate [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 758.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.0±6.0 kJ/mol
Flash Point: 231.8±26.4 °C
Index of Refraction: 1.519
Molar Refractivity: 155.9±0.4 cm3
#H bond acceptors: 15
#H bond donors: 4
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 2
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 18.95
ACD/KOC (pH 5.5): 169.78
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.72
Polar Surface Area: 222 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 513.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement