ChemSpider 2D Image | 1-S-[(1E)-3-Hydroxy-3-phenyl-N-(sulfooxy)propanimidoyl]-1-thiohexopyranose | C15H21NO10S2

1-S-[(1E)-3-Hydroxy-3-phenyl-N-(sulfooxy)propanimidoyl]-1-thiohexopyranose

  • Molecular FormulaC15H21NO10S2
  • Average mass439.458 Da
  • Monoisotopic mass439.060699 Da
  • ChemSpider ID35014388

  • Double-bond stereo - Double-bond stereo

More details:

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

1-S-[(1E)-3-Hydroxy-3-phenyl-N-(sulfooxy)propanimidoyl]-1-thiohexopyranose [German] [ACD/IUPAC Name]
1-S-[(1E)-3-Hydroxy-3-phenyl-N-(sulfooxy)propanimidoyl]-1-thiohexopyranose [ACD/IUPAC Name]
1-S-[(1E)-3-Hydroxy-3-phényl-N-(sulfooxy)propanimidoyl]-1-thiohexopyranose [French] [ACD/IUPAC Name]
Hexopyranose, 1-S-[(1E)-3-hydroxy-3-phenyl-1-[(sulfooxy)imino]propyl]-1-thio- [ACD/Index Name]
(2R)-2-Hydroxy-2-phenylethyl glucosinolate
[(E)-(3-hydroxy-3-phenyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}propylidene)amino]oxysulfonic acid

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.675
Molar Refractivity: 95.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.39
ACD/LogD (pH 5.5): -3.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 220 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 75.7±7.0 dyne/cm
Molar Volume: 253.1±7.0 cm3

Click to predict properties on the Chemicalize site


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