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Search term: 78315808 (Found by CSID)
ChemSpider 2D Image | (–)-acrozine A | C16H19N3O4S

(–)-acrozine A

  • Molecular FormulaC16H19N3O4S
  • Average mass349.405 Da
  • Monoisotopic mass349.109619 Da
  • ChemSpider ID78315808

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(–)-acrozine A
(3R,6S)-6-(Hydroxymethyl)-3-(1H-indol-3-ylmethyl)-1-methoxy-3-(methylsulfanyl)-2,5-piperazindion [German] [ACD/IUPAC Name]
(3R,6S)-6-(Hydroxymethyl)-3-(1H-indol-3-ylmethyl)-1-methoxy-3-(methylsulfanyl)-2,5-piperazinedione [ACD/IUPAC Name]
(3R,6S)-6-(Hydroxyméthyl)-3-(1H-indol-3-ylméthyl)-1-méthoxy-3-(méthylsulfanyl)-2,5-pipérazinedione [French] [ACD/IUPAC Name]
2,5-Piperazinedione, 6-(hydroxymethyl)-3-(1H-indol-3-ylmethyl)-1-methoxy-3-(methylthio)-, (3R,6S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.686
Molar Refractivity: 92.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.71
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.53
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.51
Polar Surface Area: 120 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 73.5±5.0 dyne/cm
Molar Volume: 242.4±5.0 cm3

Click to predict properties on the Chemicalize site


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