Found 8 results

Search term: YYDLFVZOIDOGSO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2S,3R,4S)-2,3,4-Trihydroxy-3,4,4a,5-tetrahydro[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one | C14H13NO6

(2S,3R,4S)-2,3,4-Trihydroxy-3,4,4a,5-tetrahydro[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one

  • Molecular FormulaC14H13NO6
  • Average mass291.256 Da
  • Monoisotopic mass291.074280 Da
  • ChemSpider ID68026588

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2S,3R,4S)-2,3,4-Trihydroxy-3,4,4a,5-tetrahydro[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-on [German] [ACD/IUPAC Name]
(2S,3R,4S)-2,3,4-Trihydroxy-3,4,4a,5-tetrahydro[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one [ACD/IUPAC Name]
(2S,3R,4S)-2,3,4-Trihydroxy-3,4,4a,5-tétrahydro[1,3]dioxolo[4,5-j]phénanthridin-6(2H)-one [French] [ACD/IUPAC Name]
[1,3]Dioxolo[4,5-j]phenanthridin-6(2H)-one, 3,4,4a,5-tetrahydro-2,3,4-trihydroxy-, (2S,3R,4S)- [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: 677.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 363.6±31.5 °C
Index of Refraction: 1.755
Molar Refractivity: 69.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.06
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.30
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.30
Polar Surface Area: 108 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 98.1±5.0 dyne/cm
Molar Volume: 168.8±5.0 cm3

Click to predict properties on the Chemicalize site


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