ChemSpider 2D Image | syringolin B | C24H41N5O6

syringolin B

  • Molecular FormulaC24H41N5O6
  • Average mass495.612 Da
  • Monoisotopic mass495.305695 Da
  • ChemSpider ID26329033

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

L-Valine, N-[[[(1S)-2-methyl-1-[[[(3E,5S,8S)-5-(1-methylethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]carbonyl]propyl]amino]carbonyl]- [ACD/Index Name]
N-{[(2S)-1-{[(3E,5S,8S)-5-Isopropyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino}-3-methyl-1-oxo-2-butanyl]carbamoyl}-L-valin [German] [ACD/IUPAC Name]
N-{[(2S)-1-{[(3E,5S,8S)-5-Isopropyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino}-3-methyl-1-oxo-2-butanyl]carbamoyl}-L-valine [ACD/IUPAC Name]
N-{[(2S)-1-{[(3E,5S,8S)-5-Isopropyl-2,7-dioxo-1,6-diazacyclododéc-3-én-8-yl]amino}-3-méthyl-1-oxo-2-butanyl]carbamoyl}-L-valine [French] [ACD/IUPAC Name]
syringolin B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 857.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.3±6.0 kJ/mol
Flash Point: 472.6±34.3 °C
Index of Refraction: 1.537
Molar Refractivity: 131.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.27
ACD/LogD (pH 5.5): -1.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 50.4±5.0 dyne/cm
Molar Volume: 420.1±5.0 cm3

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