ChemSpider 2D Image | (1S,2S,3S)-1-[(3R)-3,4-Dihydroxy-1-oxido-2,5,6-trioxa-1-phosphabicyclo[2.1.1]hex-3-yl]-1,2,3,4-butanetetrol | C6H11O10P

(1S,2S,3S)-1-[(3R)-3,4-Dihydroxy-1-oxido-2,5,6-trioxa-1-phosphabicyclo[2.1.1]hex-3-yl]-1,2,3,4-butanetetrol

  • Molecular FormulaC6H11O10P
  • Average mass274.119 Da
  • Monoisotopic mass274.008972 Da
  • ChemSpider ID67157028

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(1S,2S,3S)-1-[(3R)-3,4-Dihydroxy-1-oxido-2,5,6-trioxa-1-phosphabicyclo[2.1.1]hex-3-yl]-1,2,3,4-butanetetrol [ACD/IUPAC Name]
(1S,2S,3S)-1-[(3R)-3,4-Dihydroxy-1-oxido-2,5,6-trioxa-1-phosphabicyclo[2.1.1]hex-3-yl]-1,2,3,4-butantetrol [German] [ACD/IUPAC Name]
(1S,2S,3S)-1-[(3R)-3,4-Dihydroxy-1-oxydo-2,5,6-trioxa-1-phosphabicyclo[2.1.1]hex-3-yl]-1,2,3,4-butanetétrol [French] [ACD/IUPAC Name]
1,2,3,4-Butanetetrol, 1-[(3R)-3,4-dihydroxy-1-oxido-2,5,6-trioxa-1-phosphabicyclo[2.1.1]hex-3-yl]-, (1S,2S,3S)- [ACD/Index Name]
glucitol phosphate

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

Density: 2.2±0.1 g/cm3
Boiling Point: 609.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 103.8±6.0 kJ/mol
Flash Point: 322.4±34.3 °C
Index of Refraction: 1.684
Molar Refractivity: 46.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 176 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 150.0±5.0 dyne/cm
Molar Volume: 123.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement