ChemSpider 2D Image | (2S,3R,4S,5R,6R)-2-({(2R,3S,4R,5R,6R)-4,5-Dihydroxy-2-(hydroxymethyl)-6-[2-(1-phthalazinyl)hydrazino]tetrahydro-2H-pyran-3-yl}oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (non-preferred name) | C20H28N4O10

(2S,3R,4S,5R,6R)-2-({(2R,3S,4R,5R,6R)-4,5-Dihydroxy-2-(hydroxymethyl)-6-[2-(1-phthalazinyl)hydrazino]tetrahydro-2H-pyran-3-yl}oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (non-preferred name)

  • Molecular FormulaC20H28N4O10
  • Average mass484.457 Da
  • Monoisotopic mass484.180542 Da
  • ChemSpider ID77498887

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2S,3R,4S,5R,6R)-2-({(2R,3S,4R,5R,6R)-4,5-Dihydroxy-2-(hydroxyméthyl)-6-[2-(1-phtalazinyl)hydrazino]tétrahydro-2H-pyran-3-yl}oxy)-6-(hydroxyméthyl)tétrahydro-2H-pyrane-3,4,5-triol (non-preferred name) [French] [ACD/IUPAC Name]
(2S,3R,4S,5R,6R)-2-({(2R,3S,4R,5R,6R)-4,5-Dihydroxy-2-(hydroxymethyl)-6-[2-(1-phthalazinyl)hydrazino]tetrahydro-2H-pyran-3-yl}oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (non-preferred name) [German] [ACD/IUPAC Name]
(2S,3R,4S,5R,6R)-2-({(2R,3S,4R,5R,6R)-4,5-Dihydroxy-2-(hydroxymethyl)-6-[2-(1-phthalazinyl)hydrazino]tetrahydro-2H-pyran-3-yl}oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (non-preferred name) [ACD/IUPAC 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: 766.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.1±3.0 kJ/mol
Flash Point: 417.3±32.9 °C
Index of Refraction: 1.724
Molar Refractivity: 114.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -2.62
ACD/LogD (pH 5.5): -2.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.26
Polar Surface Area: 219 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 111.4±5.0 dyne/cm
Molar Volume: 288.7±5.0 cm3

Click to predict properties on the Chemicalize site


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