ChemSpider 2D Image | 2-{4-[Hydroxy(methoxy)methyl]benzyl}-7-[4-(hydroxymethyl)benzyl]-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepane-4,5-diol 1,1-dioxide | C35H40N2O9S

2-{4-[Hydroxy(methoxy)methyl]benzyl}-7-[4-(hydroxymethyl)benzyl]-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepane-4,5-diol 1,1-dioxide

  • Molecular FormulaC35H40N2O9S
  • Average mass664.765 Da
  • Monoisotopic mass664.245422 Da
  • ChemSpider ID21240374

More details:

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

1,1-Dioxyde de 2-{4-[hydroxy(méthoxy)méthyl]benzyl}-7-[4-(hydroxyméthyl)benzyl]-3,6-bis(phénoxyméthyl)-1,2,7-thiadiazépane-4,5-diol [French] [ACD/IUPAC Name]
1,2,7-Thiadiazepine-4,5-diol, hexahydro-2-[[4-(hydroxymethoxymethyl)phenyl]methyl]-7-[[4-(hydroxymethyl)phenyl]methyl]-3,6-bis(phenoxymethyl)-, 1,1-dioxide [ACD/Index Name]
2-{4-[Hydroxy(methoxy)methyl]benzyl}-7-[4-(hydroxymethyl)benzyl]-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepan-4,5-diol-1,1-dioxid [German] [ACD/IUPAC Name]
2-{4-[Hydroxy(methoxy)methyl]benzyl}-7-[4-(hydroxymethyl)benzyl]-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepane-4,5-diol 1,1-dioxide [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 821.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.2±3.0 kJ/mol
Flash Point: 450.7±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 177.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 36.94
ACD/KOC (pH 5.5): 460.93
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 36.94
ACD/KOC (pH 7.4): 460.93
Polar Surface Area: 158 Å2
Polarizability: 70.4±0.5 10-24cm3
Surface Tension: 61.8±3.0 dyne/cm
Molar Volume: 493.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement