Found 1 result

Search term: 78440746 (Found by CSID)
ChemSpider 2D Image | (3S,6S)-3-{(1R)-1-[(3S)-3-Hydroxy-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]ethyl}-6-{[(S)-methylsulfinyl]methyl}-2,5-piperazinedione | C17H21N3O5S

(3S,6S)-3-{(1R)-1-[(3S)-3-Hydroxy-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]ethyl}-6-{[(S)-methylsulfinyl]methyl}-2,5-piperazinedione

  • Molecular FormulaC17H21N3O5S
  • Average mass379.431 Da
  • Monoisotopic mass379.120178 Da
  • ChemSpider ID78440746

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3S,6S)-3-{(1R)-1-[(3S)-3-Hydroxy-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]ethyl}-6-{[(S)-methylsulfinyl]methyl}-2,5-piperazindion [German] [ACD/IUPAC Name]
(3S,6S)-3-{(1R)-1-[(3S)-3-Hydroxy-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]ethyl}-6-{[(S)-methylsulfinyl]methyl}-2,5-piperazinedione [ACD/IUPAC Name]
(3S,6S)-3-{(1R)-1-[(3S)-3-Hydroxy-1-méthyl-2-oxo-2,3-dihydro-1H-indol-3-yl]éthyl}-6-{[(S)-méthylsulfinyl]méthyl}-2,5-pipérazinedione [French] [ACD/IUPAC Name]
2,5-Piperazinedione, 3-[(1R)-1-[(3S)-2,3-dihydro-3-hydroxy-1-methyl-2-oxo-1H-indol-3-yl]ethyl]-6-[[(S)-(1S)-methylsulfinyl]methyl]-, (3S,6S)- [ACD/Index Name]
Maremycin C2

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

Density: 1.4±0.1 g/cm3
Boiling Point: 887.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.2±3.0 kJ/mol
Flash Point: 490.8±34.3 °C
Index of Refraction: 1.623
Molar Refractivity: 94.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -2.10
ACD/LogD (pH 5.5): -1.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.74
ACD/LogD (pH 7.4): -1.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.74
Polar Surface Area: 135 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 65.2±3.0 dyne/cm
Molar Volume: 268.2±3.0 cm3

Click to predict properties on the Chemicalize site


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