ChemSpider 2D Image | Stellarine B | C18H15N3O4

Stellarine B

  • Molecular FormulaC18H15N3O4
  • Average mass337.329 Da
  • Monoisotopic mass337.106262 Da
  • ChemSpider ID26391509

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-{[(1-Acétyl-9H-β-carbolin-3-yl)carbonyl]amino}acrylate de méthyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-[[(1-acetyl-9H-pyrido[3,4-b]indol-3-yl)carbonyl]amino]-, methyl ester, (2Z)- [ACD/Index Name]
Methyl (2Z)-3-{[(1-acetyl-9H-β-carbolin-3-yl)carbonyl]amino}acrylate [ACD/IUPAC Name]
Methyl-(2Z)-3-{[(1-acetyl-9H-β-carbolin-3-yl)carbonyl]amino}acrylat [German] [ACD/IUPAC Name]
Stellarine B
methyl(Z)-3-[(1-acetyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]prop-2-enoate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 668.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 357.8±31.5 °C
Index of Refraction: 1.682
Molar Refractivity: 93.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.69
ACD/KOC (pH 5.5): 202.24
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 10.98
ACD/KOC (pH 7.4): 189.99
Polar Surface Area: 101 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 63.2±3.0 dyne/cm
Molar Volume: 247.7±3.0 cm3

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