ChemSpider 2D Image | BAPTA-TMFM | C28H34N2O11

BAPTA-TMFM

  • Molecular FormulaC28H34N2O11
  • Average mass574.576 Da
  • Monoisotopic mass574.216248 Da
  • ChemSpider ID2017127

More details:






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

{[2-(2-{2-[Bis(2-méthoxy-2-oxoéthyl)amino]-5-formylphénoxy}éthoxy)-4-méthylphényl](2-méthoxy-2-oxoéthyl)amino}acétate de méthyle [French] [ACD/IUPAC Name]
96315-11-6 [RN]
BAPTA-TMFM
methyl [2-(2-{2-[bis(2-methoxy-2-oxoethyl)amino]-5-formylphenoxy}ethoxy)(2-methoxy-2-oxoethyl)-4-methylanilino]acetate
Methyl {[2-(2-{2-[bis(2-methoxy-2-oxoethyl)amino]-5-formylphenoxy}ethoxy)-4-methylphenyl](2-methoxy-2-oxoethyl)amino}acetate [ACD/IUPAC Name]
Methyl-{[2-(2-{2-[bis(2-methoxy-2-oxoethyl)amino]-5-formylphenoxy}ethoxy)-4-methylphenyl](2-methoxy-2-oxoethyl)amino}acetat [German] [ACD/IUPAC Name]
N-[2-[2-[2-[Bis(2-methoxy-2-oxoethyl)amino]-5-formylphenoxy]ethoxy]-4-methylphenyl]-N-(2-methoxy-2-oxoethyl)glycine methyl ester
Dimethyl 2,2'-((2-(2-(2-(bis(2-methoxy-2-oxoethyl)amino)-5-formylphenoxy)ethoxy)-4-methylphenyl)azanediyl)diacetate
Glycine,N-[2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]-5-formylphenoxy]ethoxy]-4-methylphenyl]-N-(2-methoxy-2-oxoethyl)-,methylester
methyl 2-({2-[2-(2-{bis[(methoxycarbonyl)methyl]amino}-5-methylphenoxy)ethoxy]-4-formylphenyl}[(methoxycarbonyl)methyl]amino)acetate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

A1150/0053777 [DBID]
AG-205/33128043 [DBID]
ZINC04293798 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 693.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 373.0±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 148.2±0.3 cm3
#H bond acceptors: 13
#H bond donors: 0
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 155.55
ACD/KOC (pH 5.5): 1289.59
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 155.69
ACD/KOC (pH 7.4): 1290.69
Polar Surface Area: 147 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 448.2±3.0 cm3

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