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Search term: NUKIHBOZSGUZPM (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3aS)-7-Hydroxy-3a,6-bis(hydroxymethyl)-2,2-dimethyltetrahydro[1,3]dioxolo[4,5-c]pyridin-4(3aH)-one | C10H17NO6

(3aS)-7-Hydroxy-3a,6-bis(hydroxymethyl)-2,2-dimethyltetrahydro[1,3]dioxolo[4,5-c]pyridin-4(3aH)-one

  • Molecular FormulaC10H17NO6
  • Average mass247.245 Da
  • Monoisotopic mass247.105591 Da
  • ChemSpider ID30650527

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

(3aS)-7-Hydroxy-3a,6-bis(hydroxymethyl)-2,2-dimethyltetrahydro[1,3]dioxolo[4,5-c]pyridin-4(3aH)-on [German] [ACD/IUPAC Name]
(3aS)-7-Hydroxy-3a,6-bis(hydroxymethyl)-2,2-dimethyltetrahydro[1,3]dioxolo[4,5-c]pyridin-4(3aH)-one [ACD/IUPAC Name]
(3aS)-7-Hydroxy-3a,6-bis(hydroxyméthyl)-2,2-diméthyltétrahydro[1,3]dioxolo[4,5-c]pyridin-4(3aH)-one [French] [ACD/IUPAC Name]
1,3-Dioxolo[4,5-c]pyridin-4(3aH)-one, tetrahydro-7-hydroxy-3a,6-bis(hydroxymethyl)-2,2-dimethyl-, (3aS)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 501.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.7±6.0 kJ/mol
Flash Point: 257.0±32.9 °C
Index of Refraction: 1.619
Molar Refractivity: 53.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.46
ACD/LogD (pH 5.5): -0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.40
ACD/LogD (pH 7.4): -0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.34
Polar Surface Area: 112 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 61.2±7.0 dyne/cm
Molar Volume: 152.4±7.0 cm3

Click to predict properties on the Chemicalize site


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