ChemSpider 2D Image | (Z)-{[3-Carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]amino}-N-[2-(4-sulfamoylphenyl)ethyl]sulfanylmethaniminium | C29H24N3O7S2

(Z)-{[3-Carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]amino}-N-[2-(4-sulfamoylphenyl)ethyl]sulfanylmethaniminium

  • Molecular FormulaC29H24N3O7S2
  • Average mass590.646 Da
  • Monoisotopic mass590.105042 Da
  • ChemSpider ID10131651

  • Charge - Charge

More details:

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

(Z)-{[3-Carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]amino}-N-[2-(4-sulfamoylphenyl)ethyl]sulfanylmethaniminium [ACD/IUPAC Name]
(Z)-{[3-Carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]amino}-N-[2-(4-sulfamoylphenyl)ethyl]sulfanylmethaniminium [German] [ACD/IUPAC Name]
(Z)-{[3-Carboxy-4-(6-hydroxy-3-oxo-3H-xanthén-9-yl)phényl]amino}-N-[2-(4-sulfamoylphényl)éthyl]sulfanylméthaniminium [French] [ACD/IUPAC Name]
Benzeneethanaminium, 4-(aminosulfonyl)-N-[(1Z)-[[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]amino]mercaptomethylene]- [ACD/Index Name]
FL1

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

Density:
Boiling Point: 888.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.3±3.0 kJ/mol
Flash Point: 491.3±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.44
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.94
Polar Surface Area: 217 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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