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Search term: 24822138 (Found by CSID)
ChemSpider 2D Image | (3R,29R)-3,29-Dihydroxy-27-oxotriacontyl alpha-D-threo-hexopyranoside | C36H70O9

(3R,29R)-3,29-Dihydroxy-27-oxotriacontyl α-D-threo-hexopyranoside

  • Molecular FormulaC36H70O9
  • Average mass646.936 Da
  • Monoisotopic mass646.502014 Da
  • ChemSpider ID24822138

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(3R,29R)-3,29-Dihydroxy-27-oxotriacontyl α-D-threo-hexopyranoside [ACD/IUPAC Name]
(3R,29R)-3,29-Dihydroxy-27-oxotriacontyl-α-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
4-Triacontanone, 30-(α-D-threo-hexopyranosyloxy)-2,28-dihydroxy-, (2R,28R)- [ACD/Index Name]
α-D-thréo-Hexopyranoside de (3R,29R)-3,29-dihydroxy-27-oxotriacontyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 784.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.1±6.0 kJ/mol
Flash Point: 230.6±26.4 °C
Index of Refraction: 1.516
Molar Refractivity: 179.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 3
ACD/LogP: 7.21
ACD/LogD (pH 5.5): 5.74
ACD/BCF (pH 5.5): 13695.16
ACD/KOC (pH 5.5): 31808.45
ACD/LogD (pH 7.4): 5.74
ACD/BCF (pH 7.4): 13695.07
ACD/KOC (pH 7.4): 31808.24
Polar Surface Area: 157 Å2
Polarizability: 71.1±0.5 10-24cm3
Surface Tension: 49.8±5.0 dyne/cm
Molar Volume: 593.4±5.0 cm3

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