ChemSpider 2D Image | (2R,3R,4R,5R)-2,5-Bis(hydroxymethyl)-3,4-(1-~2~H)pyrrolidinediol | C6H12DNO4

(2R,3R,4R,5R)-2,5-Bis(hydroxymethyl)-3,4-(1-2H)pyrrolidinediol

  • Molecular FormulaC6H12DNO4
  • Average mass164.178 Da
  • Monoisotopic mass164.090729 Da
  • ChemSpider ID66738237

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2R,3R,4R,5R)-2,5-Bis(hydroxymethyl)-3,4-(1-2H)pyrrolidindiol [German] [ACD/IUPAC Name]
(2R,3R,4R,5R)-2,5-Bis(hydroxymethyl)-3,4-(1-2H)pyrrolidinediol [ACD/IUPAC Name]
(2R,3R,4R,5R)-2,5-Bis(hydroxyméthyl)-3,4-(1-2H)pyrrolidinediol [French] [ACD/IUPAC Name]
Pyrrolidine-1-d-2,5-dimethanol, 3,4-dihydroxy-, (2R,3R,4R,5R)- [ACD/Index Name]
2,5-dideoxy-2,5-imino-d-mannitol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 395.9±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 74.7±6.0 kJ/mol
Flash Point: 221.9±17.1 °C
Index of Refraction: 1.559
Molar Refractivity: 37.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -2.84
ACD/LogD (pH 5.5): -5.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 14.8±0.5 10-24cm3
Surface Tension: 64.7±3.0 dyne/cm
Molar Volume: 115.9±3.0 cm3

Click to predict properties on the Chemicalize site


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