ChemSpider 2D Image | (1R,2R,3S,7S,7aS)-3-(Hydroxymethyl)hexahydro-1H-pyrrolizine-1,2,7-triol | C8H15NO4

(1R,2R,3S,7S,7aS)-3-(Hydroxymethyl)hexahydro-1H-pyrrolizine-1,2,7-triol

  • Molecular FormulaC8H15NO4
  • Average mass189.209 Da
  • Monoisotopic mass189.100113 Da
  • ChemSpider ID61626407

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,2R,3S,7S,7aS)-3-(Hydroxymethyl)hexahydro-1H-pyrrolizin-1,2,7-triol [German] [ACD/IUPAC Name]
(1R,2R,3S,7S,7aS)-3-(Hydroxymethyl)hexahydro-1H-pyrrolizine-1,2,7-triol [ACD/IUPAC Name]
(1R,2R,3S,7S,7aS)-3-(Hydroxyméthyl)hexahydro-1H-pyrrolizine-1,2,7-triol [French] [ACD/IUPAC Name]
1H-Pyrrolizine-1,2,7-triol, hexahydro-3-(hydroxymethyl)-, (1R,2R,3S,7S,7aS)- [ACD/Index Name]
121605-56-9 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 417.4±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.5±6.0 kJ/mol
Flash Point: 263.5±22.7 °C
Index of Refraction: 1.647
Molar Refractivity: 44.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.02
ACD/LogD (pH 5.5): -3.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.33
Polar Surface Area: 84 Å2
Polarizability: 17.8±0.5 10-24cm3
Surface Tension: 85.4±5.0 dyne/cm
Molar Volume: 123.5±5.0 cm3

Click to predict properties on the Chemicalize site


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