ChemSpider 2D Image | chrysopine | C11H18N2O7

chrysopine

  • Molecular FormulaC11H18N2O7
  • Average mass290.270 Da
  • Monoisotopic mass290.111389 Da
  • ChemSpider ID34448674

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

1,7-Dioxa-4-azaspiro[5.5]undecane-3-propanamide, 9,10,11-trihydroxy-2-oxo-, (3S,9R,10R,11S)- [ACD/Index Name]
3-[(3S,9R,10R,11S)-9,10,11-Trihydroxy-2-oxo-1,7-dioxa-4-azaspiro[5.5]undec-3-yl]propanamid [German] [ACD/IUPAC Name]
3-[(3S,9R,10R,11S)-9,10,11-Trihydroxy-2-oxo-1,7-dioxa-4-azaspiro[5.5]undec-3-yl]propanamide [ACD/IUPAC Name]
3-[(3S,9R,10R,11S)-9,10,11-Trihydroxy-2-oxo-1,7-dioxa-4-azaspiro[5.5]undéc-3-yl]propanamide [French] [ACD/IUPAC Name]
chrysopine
  • Miscellaneous

    • Chemical Class:

      A spiroketal and <locant>delta</locant>-lactone resulting from the formal condensation of the carboxy group of <stereo>L</stereo>-glutamine with the anomeric hydroxy group of <stereo>D</stereo>-fructo se and substitution of the 1-hydroxy group of the fructose by the <stereo>alpha</stereo>-amino group of the glutamine. It is found in crown gall tumours induced in chrysanthemums by <ital>Agrobacteriu m tumefaciens</ital>. ChEBI CHEBI:83079
      A spiroketal and delta-lactone resulting from the formal condensation of the carboxy group of L-glutamine with the anomeric hydroxy group of D-fructo; se and substitution of the 1-hydroxy group of the fructose by the alpha-amino group of the glutamine. It is found in crown gall tumours induced in chrysanthemums by Agrobacteriu; m tumefaciens. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83079
      A spiroketal and delta-lactone resulting from the formal condensation of the carboxy group of L-glutamine with the anomeric hydroxy group of D-fructose and substitution of the 1-hydroxy group of the f ructose by the alpha-amino group of the glutamine. It is found in crown gall tumours induced in chrysanthemums by Agrobacterium tumefaciens. ChEBI CHEBI:83079

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

Density: 1.6±0.1 g/cm3
Boiling Point: 673.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.2±6.0 kJ/mol
Flash Point: 361.0±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 64.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -2.38
ACD/LogD (pH 5.5): -2.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.23
ACD/LogD (pH 7.4): -2.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.55
Polar Surface Area: 151 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 81.7±5.0 dyne/cm
Molar Volume: 186.2±5.0 cm3

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