ChemSpider 2D Image | (2Z,4E)-6-Amino-3-[(dioxido-lambda~6~-sulfanyl)methyl]-2-[(2-formyl-3-indolizinyl)amino]-6-oxo-2,4-hexadienoic acid | C16H15N3O6S

(2Z,4E)-6-Amino-3-[(dioxido-λ6-sulfanyl)methyl]-2-[(2-formyl-3-indolizinyl)amino]-6-oxo-2,4-hexadienoic acid

  • Molecular FormulaC16H15N3O6S
  • Average mass377.372 Da
  • Monoisotopic mass377.068146 Da
  • ChemSpider ID16743959

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z,4E)-6-Amino-3-[(dioxido-λ6-sulfanyl)methyl]-2-[(2-formyl-3-indolizinyl)amino]-6-oxo-2,4-hexadienoic acid [ACD/IUPAC Name]
(2Z,4E)-6-Amino-3-[(dioxido-λ6-sulfanyl)methyl]-2-[(2-formyl-3-indolizinyl)amino]-6-oxo-2,4-hexadiensäure [German] [ACD/IUPAC Name]
2,4-Hexadienoic acid, 6-amino-3-[(dioxidosulfanyl)methyl]-2-[(2-formyl-3-indolizinyl)amino]-6-oxo-, (2Z,4E)- [ACD/Index Name]
Acide (2Z,4E)-6-amino-3-[(dioxydo-λ6-sulfanyl)méthyl]-2-[(2-formyl-3-indolizinyl)amino]-6-oxo-2,4-hexadiénoïque [French] [ACD/IUPAC Name]
3-(4-carbamoyl-1-carboxy-2-methylsulfonyl-buta-1,3-dienylamino)-indolizine-2-carboxylic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.700
Molar Refractivity: 93.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 148 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 78.7±7.0 dyne/cm
Molar Volume: 240.9±7.0 cm3

Click to predict properties on the Chemicalize site


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