ChemSpider 2D Image | N-{1-Hydroxy-2-[(2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)methoxy]ethyl}-N'-{2-hydroxy-3-[(2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl) methoxy]propyl}-1,13-tridecanediaminium | C42H78N2O14

N-{1-Hydroxy-2-[(2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)methoxy]ethyl}-N'-{2-hydroxy-3-[(2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl) methoxy]propyl}-1,13-tridecanediaminium

  • Molecular FormulaC42H78N2O14
  • Average mass835.073 Da
  • Monoisotopic mass834.544189 Da
  • ChemSpider ID21432916

  • Charge - Charge

More details:

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

N-{1-Hydroxy-2-[(2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)methoxy]ethyl}-N'-{2-hydroxy-3-[(2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl) methoxy]propyl}-1,13-tridecandiaminium [German] [ACD/IUPAC Name]
N-{1-Hydroxy-2-[(2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)methoxy]ethyl}-N'-{2-hydroxy-3-[(2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl) methoxy]propyl}-1,13-tridecanediaminium [ACD/IUPAC Name]
N-{1-Hydroxy-2-[(2,2,7,7-tétraméthyltétrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)méthoxy]éthyl}-N'-{2-hydroxy-3-[(2,2,7,7-tétraméthyltétrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl) méthoxy]propyl}-1,13-tridécanediaminium [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 846.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.9±6.0 kJ/mol
Flash Point: 465.9±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 16
#H bond donors: 4
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 3
ACD/LogP: 10.21
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 89.78
ACD/KOC (pH 5.5): 62.98
ACD/LogD (pH 7.4): 6.26
ACD/BCF (pH 7.4): 11842.27
ACD/KOC (pH 7.4): 8307.80
Polar Surface Area: 184 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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