ChemSpider 2D Image | (5R)-5-[(4S)-2-(Aminomethyl)-1,3-dioxolan-4-yl]-3,4-dihydroxy-2(5H)-furanone | C8H11NO6

(5R)-5-[(4S)-2-(Aminomethyl)-1,3-dioxolan-4-yl]-3,4-dihydroxy-2(5H)-furanone

  • Molecular FormulaC8H11NO6
  • Average mass217.176 Da
  • Monoisotopic mass217.058640 Da
  • ChemSpider ID24207760
  • defined stereocentres - 2 of 3 defined stereocentres


More details:






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

(5R)-5-[(4S)-2-(Aminomethyl)-1,3-dioxolan-4-yl]-3,4-dihydroxy-2(5H)-furanon [German] [ACD/IUPAC Name]
(5R)-5-[(4S)-2-(Aminomethyl)-1,3-dioxolan-4-yl]-3,4-dihydroxy-2(5H)-furanone [ACD/IUPAC Name]
(5R)-5-[(4S)-2-(Aminométhyl)-1,3-dioxolan-4-yl]-3,4-dihydroxy-2(5H)-furanone [French] [ACD/IUPAC Name]
(5R)-5-((4S)-2-(aminomethyl)-1,3-dioxolan-4-yl)-3,4-dihydroxyfuran-2(5H)-one
208125-54-6 [RN]
L-Ascorbic acid, 5,6-O-(2-aminoethylidene)- (9CI)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 471.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 84.6±6.0 kJ/mol
Flash Point: 238.9±28.7 °C
Index of Refraction: 1.638
Molar Refractivity: 46.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.56
ACD/LogD (pH 5.5): -4.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 111 Å2
Polarizability: 18.3±0.5 10-24cm3
Surface Tension: 89.0±3.0 dyne/cm
Molar Volume: 128.7±3.0 cm3

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