ChemSpider 2D Image | (1S,2S,3S,6S,7R)-3-(Hydroxymethyl)hexahydro-1H-pyrrolizine-1,2,6,7-tetrol | C8H15NO5

(1S,2S,3S,6S,7R)-3-(Hydroxymethyl)hexahydro-1H-pyrrolizine-1,2,6,7-tetrol

  • Molecular FormulaC8H15NO5
  • Average mass205.208 Da
  • Monoisotopic mass205.095016 Da
  • ChemSpider ID74169473

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(1S,2S,3S,6S,7R)-3-(Hydroxymethyl)hexahydro-1H-pyrrolizin-1,2,6,7-tetrol [German] [ACD/IUPAC Name]
(1S,2S,3S,6S,7R)-3-(Hydroxymethyl)hexahydro-1H-pyrrolizine-1,2,6,7-tetrol [ACD/IUPAC Name]
(1S,2S,3S,6S,7R)-3-(Hydroxyméthyl)hexahydro-1H-pyrrolizine-1,2,6,7-tétrol [French] [ACD/IUPAC Name]
1H-Pyrrolizine-1,2,6,7-tetrol, hexahydro-3-(hydroxymethyl)-, (1S,2S,3S,6S,7R)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 448.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 81.6±6.0 kJ/mol
Flash Point: 287.4±27.4 °C
Index of Refraction: 1.688
Molar Refractivity: 46.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -1.51
ACD/LogD (pH 5.5): -2.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.31
Polar Surface Area: 104 Å2
Polarizability: 18.4±0.5 10-24cm3
Surface Tension: 106.0±5.0 dyne/cm
Molar Volume: 121.7±5.0 cm3

Click to predict properties on the Chemicalize site


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