Found 94 results

Search term: MF = 'C_{6}H_{12}N_{2}O_{6}S'
ChemSpider 2D Image | (3aR,4R,5S,6R)Hexahydro-2H-[1,2,5]thiadiazolo[2,3-a]pyridine-4,5,6,7-tetrol 1,1-dioxide | C6H12N2O6S

(3aR,4R,5S,6R)Hexahydro-2H-[1,2,5]thiadiazolo[2,3-a]pyridine-4,5,6,7-tetrol 1,1-dioxide

  • Molecular FormulaC6H12N2O6S
  • Average mass240.234 Da
  • Monoisotopic mass240.041611 Da
  • ChemSpider ID24750537

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(3aR,4R,5S,6R) 1,1-Dioxyde de hexahydro-2H-[1,2,5]thiadiazolo[2,3-a]pyridine-4,5,6,7-tétrol [French] [ACD/IUPAC Name]
(3aR,4R,5S,6R)Hexahydro-2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4,5,6,7-tetrol-1,1-dioxid [German] [ACD/IUPAC Name]
(3aR,4R,5S,6R)Hexahydro-2H-[1,2,5]thiadiazolo[2,3-a]pyridine-4,5,6,7-tetrol 1,1-dioxide [ACD/IUPAC Name]
2H-[1,2,5]Thiadiazolo[2,3-a]pyridine-4,5,6,7-tetrol, hexahydro-, 1,1-dioxide, (3aR,4R,5S,6R)- [ACD/Index Name]
(3aR,4R,5S,6R)-1,1-dioxo-octahydro-1λ*6*-[1,2,5]thiadiazolo[2,3-a]pyridine-4,5,6,7-tetraol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL403853/

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

Density: 2.0±0.1 g/cm3
Boiling Point: 453.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.3±6.0 kJ/mol
Flash Point: 228.2±31.5 °C
Index of Refraction: 1.749
Molar Refractivity: 48.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: -2.85
ACD/LogD (pH 5.5): -2.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 139 Å2
Polarizability: 19.1±0.5 10-24cm3
Surface Tension: 135.3±5.0 dyne/cm
Molar Volume: 118.3±5.0 cm3

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