Found 52 results

Search term: MF = 'C_{38}H_{36}N_{2}O_{5}'
ChemSpider 2D Image | (1S)-1,4-Anhydro-1-[6-(benzoylamino)-3-pyridinyl]-2,3,5-tri-O-benzyl-D-ribitol | C38H36N2O5

(1S)-1,4-Anhydro-1-[6-(benzoylamino)-3-pyridinyl]-2,3,5-tri-O-benzyl-D-ribitol

  • Molecular FormulaC38H36N2O5
  • Average mass600.703 Da
  • Monoisotopic mass600.262451 Da
  • ChemSpider ID9181712

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S)-1,4-Anhydro-1-[6-(benzoylamino)-3-pyridinyl]-2,3,5-tri-O-benzyl-D-ribitol [ACD/IUPAC Name]
(1S)-1,4-Anhydro-1-[6-(benzoylamino)-3-pyridinyl]-2,3,5-tri-O-benzyl-D-ribitol [German] [ACD/IUPAC Name]
(1S)-1,4-Anhydro-1-[6-(benzoylamino)-3-pyridinyl]-2,3,5-tri-O-benzyl-D-ribitol [French] [ACD/IUPAC Name]
D-Ribitol, 1,4-anhydro-1-C-[6-(benzoylamino)-3-pyridinyl]-2,3,5-tris-O-(phenylmethyl)-, (1S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 692.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 372.3±31.5 °C
Index of Refraction: 1.648
Molar Refractivity: 173.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.43
ACD/LogD (pH 5.5): 6.80
ACD/BCF (pH 5.5): 86290.44
ACD/KOC (pH 5.5): 118502.66
ACD/LogD (pH 7.4): 6.80
ACD/BCF (pH 7.4): 86990.67
ACD/KOC (pH 7.4): 119464.28
Polar Surface Area: 79 Å2
Polarizability: 68.8±0.5 10-24cm3
Surface Tension: 60.4±5.0 dyne/cm
Molar Volume: 477.3±5.0 cm3

Click to predict properties on the Chemicalize site


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