ChemSpider 2D Image | (2S,3R,4S,5S)-5-[(1,3-Dihydroxy-2-propanyl)amino]-1-(hydroxymethyl)-1,2,3,4-cyclohexanetetrol | C10H21NO7

(2S,3R,4S,5S)-5-[(1,3-Dihydroxy-2-propanyl)amino]-1-(hydroxymethyl)-1,2,3,4-cyclohexanetetrol

  • Molecular FormulaC10H21NO7
  • Average mass267.276 Da
  • Monoisotopic mass267.131805 Da
  • ChemSpider ID29788441

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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

(2S,3R,4S,5S)-5-[(1,3-Dihydroxy-2-propanyl)amino]-1-(hydroxymethyl)-1,2,3,4-cyclohexanetetrol [ACD/IUPAC Name]
(2S,3R,4S,5S)-5-[(1,3-Dihydroxy-2-propanyl)amino]-1-(hydroxyméthyl)-1,2,3,4-cyclohexanetétrol [French] [ACD/IUPAC Name]
(2S,3R,4S,5S)-5-[(1,3-Dihydroxy-2-propanyl)amino]-1-(hydroxymethyl)-1,2,3,4-cyclohexantetrol [German] [ACD/IUPAC Name]
1,2,3,4-Cyclohexanetetrol, 5-[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]-1-(hydroxymethyl)-, (2S,3R,4S,5S)- [ACD/Index Name]
[83480-29-9] [RN]
3,4-Dideoxy-[2-hydroxy-1-(hydroxyethyl)ethyl] amino-1-C-(hydroxynethyl)-1,2,3,4-cyclohexaneterol
3,4-Dideoxy-4-[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]-2-C-(hydroxymethyl)-D-epiinositol
MFCD00865496 [MDL number]
Voglibose [Wiki]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 601.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.7±6.0 kJ/mol
Flash Point: 274.1±22.1 °C
Index of Refraction: 1.636
Molar Refractivity: 60.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -2.36
ACD/LogD (pH 5.5): -4.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 99.7±5.0 dyne/cm
Molar Volume: 169.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement