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Search term: JNVLIAMRBIRKAX (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3R,4S,5R)-3-(Hydroxymethyl)-1,2-dithiane-4,5-diol (non-preferred name) | C5H10O3S2

(3R,4S,5R)-3-(Hydroxymethyl)-1,2-dithiane-4,5-diol (non-preferred name)

  • Molecular FormulaC5H10O3S2
  • Average mass182.261 Da
  • Monoisotopic mass182.007141 Da
  • ChemSpider ID61400198

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,4S,5R)-3-(Hydroxymethyl)-1,2-dithian-4,5-diol (non-preferred name) [German] [ACD/IUPAC Name]
(3R,4S,5R)-3-(Hydroxymethyl)-1,2-dithiane-4,5-diol (non-preferred name) [ACD/IUPAC Name]
(3R,4S,5R)-3-(Hydroxyméthyl)-1,2-dithiane-4,5-diol (non-preferred name) [French] [ACD/IUPAC Name]
1451992-82-7 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 364.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 70.7±6.0 kJ/mol
Flash Point: 177.2±26.6 °C
Index of Refraction: 1.672
Molar Refractivity: 44.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.13
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.01
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.01
Polar Surface Area: 111 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 73.8±3.0 dyne/cm
Molar Volume: 118.0±3.0 cm3

Click to predict properties on the Chemicalize site


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