ChemSpider 2D Image | splenocin D | C26H28N2O9

splenocin D

  • Molecular FormulaC26H28N2O9
  • Average mass512.508 Da
  • Monoisotopic mass512.179504 Da
  • ChemSpider ID24717497

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3S,6S,7R,8R)-8-Ethyl-3-[(3-formamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl benzoate [ACD/IUPAC Name]
(2R,3S,6S,7R,8R)-8-Ethyl-3-[(3-formamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl-benzoat [German] [ACD/IUPAC Name]
Benzoate de (2R,3S,6S,7R,8R)-8-éthyl-3-[(3-formamido-2-hydroxybenzoyl)amino]-2,6-diméthyl-4,9-dioxo-1,5-dioxonan-7-yle [French] [ACD/IUPAC Name]
splenocin D
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL519507/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 787.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.6±3.0 kJ/mol
Flash Point: 430.3±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 129.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 156.28
ACD/KOC (pH 5.5): 1290.23
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 85.29
ACD/KOC (pH 7.4): 704.20
Polar Surface Area: 157 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 376.2±5.0 cm3

Click to predict properties on the Chemicalize site


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