Found 2 results

Search term: MF = 'C_{5}H_{12}O_{7}P_{2}S'
ChemSpider 2D Image | S-[(2E)-4-Hydroxy-3-methyl-2-buten-1-yl] trihydrogen thiodiphosphate | C5H12O7P2S

S-[(2E)-4-Hydroxy-3-methyl-2-buten-1-yl] trihydrogen thiodiphosphate

  • Molecular FormulaC5H12O7P2S
  • Average mass278.157 Da
  • Monoisotopic mass277.977905 Da
  • ChemSpider ID25064963

  • Double-bond stereo - Double-bond stereo

More details:

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

S-[(2E)-4-Hydroxy-3-methyl-2-buten-1-yl] trihydrogen thiodiphosphate [ACD/IUPAC Name]
S-[(2E)-4-Hydroxy-3-methyl-2-buten-1-yl]trihydrogenthiodiphosphat [German] [ACD/IUPAC Name]
Trihydrogénothiodiphosphate de S-[(2E)-4-hydroxy-3-méthyl-2-butén-1-yle] [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1208093/

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

Density: 1.7±0.1 g/cm3
Boiling Point: 524.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.9±6.0 kJ/mol
Flash Point: 271.2±32.9 °C
Index of Refraction: 1.586
Molar Refractivity: 54.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.72
ACD/LogD (pH 5.5): -6.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 85.4±3.0 dyne/cm
Molar Volume: 163.1±3.0 cm3

Click to predict properties on the Chemicalize site


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