ChemSpider 2D Image | 4-(Carboxylatomethyl)-2,2,7,7,17,17-hexamethyl-6,18-dioxo-20-[(trimethylammonio)methyl]-5,12,19-trioxa-2-azoniadocosan-22-oate | C30H56N2O9

4-(Carboxylatomethyl)-2,2,7,7,17,17-hexamethyl-6,18-dioxo-20-[(trimethylammonio)methyl]-5,12,19-trioxa-2-azoniadocosan-22-oate

  • Molecular FormulaC30H56N2O9
  • Average mass588.774 Da
  • Monoisotopic mass588.398560 Da
  • ChemSpider ID9585613

More details:

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

1-Propanaminium, 2,2'-[oxybis[(2,2-dimethyl-1-oxo-6,1-hexanediyl)oxy]]bis[3-carboxy-N,N,N-trimethyl-, bis(inner salt) [ACD/Index Name]
4-(Carboxylatomethyl)-2,2,7,7,17,17-hexamethyl-6,18-dioxo-20-[(trimethylammonio)methyl]-5,12,19-trioxa-2-azoniadocosan-22-oat [German] [ACD/IUPAC Name]
4-(Carboxylatomethyl)-2,2,7,7,17,17-hexamethyl-6,18-dioxo-20-[(trimethylammonio)methyl]-5,12,19-trioxa-2-azoniadocosan-22-oate [ACD/IUPAC Name]
4-(Carboxylatométhyl)-2,2,7,7,17,17-hexaméthyl-6,18-dioxo-20-[(triméthylammonio)méthyl]-5,12,19-trioxa-2-azoniadocosan-22-oate [French] [ACD/IUPAC Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: -3.21
ACD/LogD (pH 5.5): -2.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.84
ACD/LogD (pH 7.4): -2.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.89
Polar Surface Area: 142 Å2
Polarizability:
Surface Tension:
Molar Volume:

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