ChemSpider 2D Image | Azacitidine Related Compound B | C28H24O9

Azacitidine Related Compound B

  • Molecular FormulaC28H24O9
  • Average mass504.485 Da
  • Monoisotopic mass504.142029 Da
  • ChemSpider ID73498

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3R,4R,5R)-2-(acetyloxy)-4-(benzoyloxy)-5-[(benzoyloxy)methyl]oxolan-3-yl benzoate
(2S,3R,4R,5R)-2-Acetoxy-5-[(benzoyloxy)methyl]tetrahydrofuran-3,4-diyl dibenzoate
1-O-Acetyl-2,3,5-tri-O-benzoyl-β-D-ribofuranose
1-O-Acetyl-2,3,5-tri-O-benzoyl-β-D-ribofuranose [ACD/IUPAC Name]
1-O-Acetyl-2,3,5-tri-O-benzoyl-β-D-ribofuranose
1-O-Acetyl-2,3,5-tri-O-benzoyl-β-D-ribofuranose [German] [ACD/IUPAC Name]
1-O-Acétyl-2,3,5-tri-O-benzoyl-β-D-ribofuranose [French] [ACD/IUPAC Name]
1-O-Acetyl-2,3,5-tris-O-(phenylcarbonyl)-β-D-ribofuranose
230-220-4 [EINECS]
6974-32-9 [RN]
More...

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

01510_FLUKA [DBID]
159018_ALDRICH [DBID]
6974-32-9 (70832-64-3) [DBID]
NSC 23349 [DBID]
ZINC03956807 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 621.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 264.3±31.5 °C
Index of Refraction: 1.610
Molar Refractivity: 129.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 281.13
ACD/KOC (pH 5.5): 1970.31
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 281.13
ACD/KOC (pH 7.4): 1970.31
Polar Surface Area: 114 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 373.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement