ChemSpider 2D Image | (4S,5S)-2,7-Bis[(4'-methoxy-2-biphenylyl)methyl]-1,2,7-thiadiazepane-4,5-diol 1,1-dioxide | C32H34N2O6S

(4S,5S)-2,7-Bis[(4'-methoxy-2-biphenylyl)methyl]-1,2,7-thiadiazepane-4,5-diol 1,1-dioxide

  • Molecular FormulaC32H34N2O6S
  • Average mass574.687 Da
  • Monoisotopic mass574.213745 Da
  • ChemSpider ID2282397

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S,5S) 1,1-Dioxyde de 2,7-bis[(4'-méthoxy-2-biphénylyl)méthyl]-1,2,7-thiadiazépane-4,5-diol [French] [ACD/IUPAC Name]
(4S,5S)-2,7-Bis[(4'-methoxy-2-biphenylyl)methyl]-1,2,7-thiadiazepan-4,5-diol-1,1-dioxid [German] [ACD/IUPAC Name]
(4S,5S)-2,7-Bis[(4'-methoxy-2-biphenylyl)methyl]-1,2,7-thiadiazepane-4,5-diol 1,1-dioxide [ACD/IUPAC Name]
1,2,7-Thiadiazepine-4,5-diol, hexahydro-2,7-bis[(4'-methoxy[1,1'-biphenyl]-2-yl)methyl]-, 1,1-dioxide, (4S,5S)- [ACD/Index Name]
cyclic sulfamide, biphenyl analog 20

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

AIDS225405 [DBID]
AIDS-225405 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 790.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.6±3.0 kJ/mol
Flash Point: 432.0±32.9 °C
Index of Refraction: 1.638
Molar Refractivity: 159.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 495.53
ACD/KOC (pH 5.5): 2956.19
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 495.53
ACD/KOC (pH 7.4): 2956.19
Polar Surface Area: 108 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 442.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement