ChemSpider 2D Image | CLAVATADINE A | C14H18Br2N4O5

CLAVATADINE A

  • Molecular FormulaC14H18Br2N4O5
  • Average mass482.125 Da
  • Monoisotopic mass479.964386 Da
  • ChemSpider ID24719085

More details:

Featured data source
Natural Product Updates

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

(2,4-Dibrom-3-{[(4-carbamimidamidobutyl)carbamoyl]oxy}-6-hydroxyphenyl)essigsäure [German] [ACD/IUPAC Name]
(2,4-Dibromo-3-{[(4-carbamimidamidobutyl)carbamoyl]oxy}-6-hydroxyphenyl)acetic acid [ACD/IUPAC Name]
Acide (2,4-dibromo-3-{[(4-carbamimidamidobutyl)carbamoyl]oxy}-6-hydroxyphényl)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 3-[[[[4-[(aminoiminomethyl)amino]butyl]amino]carbonyl]oxy]-2,4-dibromo-6-hydroxy- [ACD/Index Name]
CLAVATADINE A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL521739/

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.668
Molar Refractivity: 94.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 0.66
ACD/LogD (pH 5.5): -0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 66.4±7.0 dyne/cm
Molar Volume: 253.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement