ChemSpider 2D Image | (3R,4S)-2,7-Dibenzyl-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepane-4,5-diol 1,1-dioxide | C32H34N2O6S

(3R,4S)-2,7-Dibenzyl-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepane-4,5-diol 1,1-dioxide

  • Molecular FormulaC32H34N2O6S
  • Average mass574.687 Da
  • Monoisotopic mass574.213745 Da
  • ChemSpider ID23141187

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(3R,4S) 1,1-Dioxyde de 2,7-dibenzyl-3,6-bis(phénoxyméthyl)-1,2,7-thiadiazépane-4,5-diol [French] [ACD/IUPAC Name]
(3R,4S)-2,7-Dibenzyl-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepan-4,5-diol-1,1-dioxid [German] [ACD/IUPAC Name]
(3R,4S)-2,7-Dibenzyl-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepane-4,5-diol 1,1-dioxide [ACD/IUPAC Name]
1,2,7-Thiadiazepine-4,5-diol, hexahydro-3,6-bis(phenoxymethyl)-2,7-bis(phenylmethyl)-, 1,1-dioxide, (3R,4S)- [ACD/Index Name]
2,7-Dibenzyl-1,1-dioxo-3,6-bis-phenoxymethyl-1λ*6*-[1,2,7]thiadiazepane-4,5-diol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 752.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 115.1±3.0 kJ/mol
Flash Point: 408.9±32.9 °C
Index of Refraction: 1.638
Molar Refractivity: 158.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 1406.72
ACD/KOC (pH 5.5): 6238.57
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1406.71
ACD/KOC (pH 7.4): 6238.54
Polar Surface Area: 108 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 442.4±3.0 cm3

Click to predict properties on the Chemicalize site


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