ChemSpider 2D Image | SPLENOCIN A | C26H28N2O9

SPLENOCIN A

  • Molecular FormulaC26H28N2O9
  • Average mass512.508 Da
  • Monoisotopic mass512.179504 Da
  • ChemSpider ID24704425

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(2R,3S,6S,7R,8R)-8-Benzyl-3-[(3-formamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl acetate [ACD/IUPAC Name]
(2R,3S,6S,7R,8R)-8-Benzyl-3-[(3-formamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (2R,3S,6S,7R,8R)-8-benzyl-3-[(3-formamido-2-hydroxybenzoyl)amino]-2,6-diméthyl-4,9-dioxo-1,5-dioxonan-7-yle [French] [ACD/IUPAC Name]
SPLENOCIN A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL489449/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 785.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.3±3.0 kJ/mol
Flash Point: 428.9±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: 2.30
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.77
ACD/KOC (pH 5.5): 702.00
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 36.45
ACD/KOC (pH 7.4): 383.20
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

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