ChemSpider 2D Image | (2S)-N-[(17R)-17,19-Dihydroxy-18,18-dimethyl-3,12,16-trioxo-7,8-dithia-4,11,15-triazanonadec-1-yl]-2,4-dihydroxy-3,3-dimethylbutanamide (non-preferred name) | C22H42N4O8S2

(2S)-N-[(17R)-17,19-Dihydroxy-18,18-dimethyl-3,12,16-trioxo-7,8-dithia-4,11,15-triazanonadec-1-yl]-2,4-dihydroxy-3,3-dimethylbutanamide (non-preferred name)

  • Molecular FormulaC22H42N4O8S2
  • Average mass554.721 Da
  • Monoisotopic mass554.244385 Da
  • ChemSpider ID62469484

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-N-[(17R)-17,19-Dihydroxy-18,18-dimethyl-3,12,16-trioxo-7,8-dithia-4,11,15-triazanonadec-1-yl]-2,4-dihydroxy-3,3-dimethylbutanamid (non-preferred name) [German] [ACD/IUPAC Name]
(2S)-N-[(17R)-17,19-Dihydroxy-18,18-dimethyl-3,12,16-trioxo-7,8-dithia-4,11,15-triazanonadec-1-yl]-2,4-dihydroxy-3,3-dimethylbutanamide (non-preferred name) [ACD/IUPAC Name]
(2S)-N-[(17R)-17,19-Dihydroxy-18,18-diméthyl-3,12,16-trioxo-7,8-dithia-4,11,15-triazanonadéc-1-yl]-2,4-dihydroxy-3,3-diméthylbutanamide (non-preferred name) [French] [ACD/IUPAC Name]
Butanamide, N-[(17R)-17,19-dihydroxy-18,18-dimethyl-3,12,16-trioxo-7,8-dithia-4,11,15-triazanonadec-1-yl]-2,4-dihydroxy-3,3-dimethyl-, (2S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 987.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 163.1±6.0 kJ/mol
Flash Point: 550.8±34.3 °C
Index of Refraction: 1.560
Molar Refractivity: 140.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: -1.40
ACD/LogD (pH 5.5): -1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.84
ACD/LogD (pH 7.4): -1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.84
Polar Surface Area: 248 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 434.2±3.0 cm3

Click to predict properties on the Chemicalize site


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