ChemSpider 2D Image | (2S,3R,5R)-2,5-dimethyl-3-thioacetoxy-tetrahydrofuran | C8H14O2S

(2S,3R,5R)-2,5-dimethyl-3-thioacetoxy-tetrahydrofuran

  • Molecular FormulaC8H14O2S
  • Average mass174.261 Da
  • Monoisotopic mass174.071457 Da
  • ChemSpider ID32699234

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S)-2-S-Acetyl-1,4-anhydro-3,5-dideoxy-1-methyl-2-thio-D-erythro-pentitol [ACD/IUPAC Name]
(1S)-2-S-Acetyl-1,4-anhydro-3,5-didesoxy-1-methyl-2-thio-D-erythro-pentitol [German] [ACD/IUPAC Name]
(1S)-2-S-Acétyl-1,4-anhydro-3,5-didésoxy-1-méthyl-2-thio-D-érythro-pentitol [French] [ACD/IUPAC Name]
(2S,3R,5R)-2,5-dimethyl-3-thioacetoxy-tetrahydrofuran
D-erythro-Pentitol, 1,4-anhydro-3,5-dideoxy-1-C-methyl-2-thio-, acetate, (1S)- [ACD/Index Name]
2,5-DIMETHYL-3-THIOACETOXY-TETRAHYDROFURAN
2,5-DIMETHYL-3-THIOACETOXY-TETRAHYDROFURAN, (2S,3R,5R)-
252736-39-3 [RN]
UNII-F8WC5K08SK

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

BW39TNR561 [DBID]
UNII:BW39TNR561 [DBID]
UNII-BW39TNR561 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 238.7±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.6±3.0 kJ/mol
Flash Point: 101.6±12.3 °C
Index of Refraction: 1.491
Molar Refractivity: 46.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 7.61
ACD/KOC (pH 5.5): 148.84
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 7.61
ACD/KOC (pH 7.4): 148.84
Polar Surface Area: 52 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 34.8±5.0 dyne/cm
Molar Volume: 161.7±5.0 cm3

Click to predict properties on the Chemicalize site


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