ChemSpider 2D Image | (1R,4R,7R,10R)-4,10-Dibenzyl-1,7-bis(hydroxymethyl)-5,11-dimethyl-2,3,8,9-tetrathia-5,11,13,15-tetraazatricyclo[8.2.2.2~4,7~]hexadecane-6,12,14,16-tetrone | C26H28N4O6S4

(1R,4R,7R,10R)-4,10-Dibenzyl-1,7-bis(hydroxymethyl)-5,11-dimethyl-2,3,8,9-tetrathia-5,11,13,15-tetraazatricyclo[8.2.2.24,7]hexadecane-6,12,14,16-tetrone

  • Molecular FormulaC26H28N4O6S4
  • Average mass620.784 Da
  • Monoisotopic mass620.089172 Da
  • ChemSpider ID4440537

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(1R,4R,7R,10R)-4,10-Dibenzyl-1,7-bis(hydroxymethyl)-5,11-dimethyl-2,3,8,9-tetrathia-5,11,13,15-tetraazatricyclo[8.2.2.24,7]hexadecan-6,12,14,16-tetron [German] [ACD/IUPAC Name]
(1R,4R,7R,10R)-4,10-Dibenzyl-1,7-bis(hydroxymethyl)-5,11-dimethyl-2,3,8,9-tetrathia-5,11,13,15-tetraazatricyclo[8.2.2.24,7]hexadecane-6,12,14,16-tetrone [ACD/IUPAC Name]
(1R,4R,7R,10R)-4,10-Dibenzyl-1,7-bis(hydroxyméthyl)-5,11-diméthyl-2,3,8,9-tétrathia-5,11,13,15-tétraazatricyclo[8.2.2.24,7]hexadécane-6,12,14,16-tétrone [French] [ACD/IUPAC Name]
2,3,8,9-Tetrathia-5,11,13,15-tetraazatricyclo[8.2.2.24,7]hexadecane-6,12,14,16-tetrone, 1,7-bis(hydroxymethyl)-5,11-dimethyl-4,10-bis(phenylmethyl)-, (1R,4R,7R,10R)- [ACD/Index Name]
Vertihemiptellide A

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

AIDS231633 [DBID]
AIDS-231633 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 985.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.5±3.0 kJ/mol
Flash Point: 549.7±34.3 °C
Index of Refraction: 1.693
Molar Refractivity: 159.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 434.42
ACD/KOC (pH 5.5): 2690.35
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 431.33
ACD/KOC (pH 7.4): 2671.22
Polar Surface Area: 240 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 70.8±3.0 dyne/cm
Molar Volume: 416.7±3.0 cm3

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