ChemSpider 2D Image | (5R)-2,4-Dideoxy-1-C-ethyl-3-O-(3-hydroxy-2,4-dimethyl-5-oxoheptanoyl)-5-isopropyl-2,4-dimethyl-beta-L-glycero-pentopyranose | C21H38O6

(5R)-2,4-Dideoxy-1-C-ethyl-3-O-(3-hydroxy-2,4-dimethyl-5-oxoheptanoyl)-5-isopropyl-2,4-dimethyl-β-L-glycero-pentopyranose

  • Molecular FormulaC21H38O6
  • Average mass386.523 Da
  • Monoisotopic mass386.266846 Da
  • ChemSpider ID28283363

  • defined stereocentres - 3 of 8 defined stereocentres

More details:

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(5R)-2,4-Dideoxy-1-C-ethyl-3-O-(3-hydroxy-2,4-dimethyl-5-oxoheptanoyl)-5-isopropyl-2,4-dimethyl-β-L-glycero-pentopyranose [ACD/IUPAC Name]
(5R)-2,4-Didesoxy-1-C-ethyl-3-O-(3-hydroxy-2,4-dimethyl-5-oxoheptanoyl)-5-isopropyl-2,4-dimethyl-β-L-glycero-pentopyranose [German] [ACD/IUPAC Name]
(5R)-2,4-Didésoxy-1-C-éthyl-3-O-(3-hydroxy-2,4-diméthyl-5-oxoheptanoyl)-5-isopropyl-2,4-diméthyl-β-L-glycéro-pentopyranose [French] [ACD/IUPAC Name]
β-L-glycero-Pentopyranose, 2,4-dideoxy-1-C-ethyl-3-O-(3-hydroxy-2,4-dimethyl-1,5-dioxoheptyl)-2,4-dimethyl-5-C-(1-methylethyl)-, (5R)- [ACD/Index Name]
dolabriferol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 503.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 89.0±6.0 kJ/mol
Flash Point: 163.7±23.6 °C
Index of Refraction: 1.487
Molar Refractivity: 103.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 52.33
ACD/KOC (pH 5.5): 591.38
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 52.33
ACD/KOC (pH 7.4): 591.38
Polar Surface Area: 93 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 39.8±5.0 dyne/cm
Molar Volume: 361.0±5.0 cm3

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