ChemSpider 2D Image | (3R,4S)-4-acetoxy-3-pentyltetrahydropyran | C12H22O3

(3R,4S)-4-acetoxy-3-pentyltetrahydropyran

  • Molecular FormulaC12H22O3
  • Average mass214.301 Da
  • Monoisotopic mass214.156891 Da
  • ChemSpider ID58828343

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-4-acetoxy-3-pentyltetrahydropyran
3-O-Acetyl-1,5-anhydro-2,4-dideoxy-4-pentyl-D-erythro-pentitol [ACD/IUPAC Name]
3-O-Acetyl-1,5-anhydro-2,4-didesoxy-4-pentyl-D-erythro-pentitol [German] [ACD/IUPAC Name]
3-O-Acétyl-1,5-anhydro-2,4-didésoxy-4-pentyl-D-érythro-pentitol [French] [ACD/IUPAC Name]
934492-18-9 [RN]
D-erythro-Pentitol, 1,5-anhydro-2,4-dideoxy-4-pentyl-, acetate [ACD/Index Name]
4-ACETOXY-3-PENTYLTETRAHYDROPYRAN, (3R,4S)-

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

334W6M8D2L [DBID]
UNII:334W6M8D2L [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 278.1±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.7±3.0 kJ/mol
Flash Point: 111.6±20.0 °C
Index of Refraction: 1.452
Molar Refractivity: 59.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 227.32
ACD/KOC (pH 5.5): 1692.35
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 227.32
ACD/KOC (pH 7.4): 1692.35
Polar Surface Area: 36 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 32.5±5.0 dyne/cm
Molar Volume: 219.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement