ChemSpider 2D Image | 2-[5-(3,3-Dimethyl-5-sulfo-3H-indol-2-yl)-2,4-pentadien-1-ylidene]-2,3-dihydro-3,3-dimethyl-5-sulfo-1H-indole-1-hexanoic acid | C31H36N2O8S2

2-[5-(3,3-Dimethyl-5-sulfo-3H-indol-2-yl)-2,4-pentadien-1-ylidene]-2,3-dihydro-3,3-dimethyl-5-sulfo-1H-indole-1-hexanoic acid

  • Molecular FormulaC31H36N2O8S2
  • Average mass628.756 Da
  • Monoisotopic mass628.191284 Da
  • ChemSpider ID23107078

More details:

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

1H-Indole-1-hexanoic acid, 2-[(2E,4E)-5-(3,3-dimethyl-5-sulfo-3H-indol-2-yl)-2,4-pentadien-1-ylidene]-2,3-dihydro-3,3-dimethyl-5-sulfo-, (2Z)- [ACD/Index Name]
2-[5-(3,3-Dimethyl-5-sulfo-3H-indol-2-yl)-2,4-pentadien-1-ylidene]-2,3-dihydro-3,3-dimethyl-5-sulfo-1H-indole-1-hexanoic acid
312961-83-4 [RN]
6-{(2Z)-2-[(1Z,2E,4E)-5-(3,3-Dimethyl-5-sulfo-3H-indol-2-yl)-2,4-pentadien-1-yliden]-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-1-yl}hexansäure [German] [ACD/IUPAC Name]
6-{(2Z)-2-[(1Z,2E,4E)-5-(3,3-Dimethyl-5-sulfo-3H-indol-2-yl)-2,4-pentadien-1-ylidene]-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-1-yl}hexanoic acid [ACD/IUPAC Name]
Acide 6-{(2Z)-2-[(1Z,2E,4E)-5-(3,3-diméthyl-5-sulfo-3H-indol-2-yl)-2,4-pentadién-1-ylidène]-3,3-diméthyl-5-sulfo-2,3-dihydro-1H-indol-1-yl}hexanoïque [French] [ACD/IUPAC Name]
6-{(2Z)-2-[(1Z,2E,4E)-5-(3,3-dimethyl-5-sulfo-3H-indol-2-yl)penta-2,4-dien-1-ylidene]-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-1-yl}hexanoic acid
6-{2-[5-(3,3-dimethyl-5-sulfo-3H-indol-2-yl)penta-2,4-dien-1-ylidene]-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-1-yl}hexanoic acid
CypHer5

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.623
Molar Refractivity: 165.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.37
ACD/LogD (pH 5.5): -3.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 178 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 53.9±7.0 dyne/cm
Molar Volume: 469.0±7.0 cm3

Click to predict properties on the Chemicalize site


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