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Search term: 78441569 (Found by CSID)
ChemSpider 2D Image | (3S,6S)-3-(4-Hydroxybenzyl)-6-{[(6S)-6-hydroxy-12-oxo-6,12-dihydroindolo[2,1-b]quinazolin-6-yl]methyl}-2,5-piperazinedione | C27H22N4O5

(3S,6S)-3-(4-Hydroxybenzyl)-6-{[(6S)-6-hydroxy-12-oxo-6,12-dihydroindolo[2,1-b]quinazolin-6-yl]methyl}-2,5-piperazinedione

  • Molecular FormulaC27H22N4O5
  • Average mass482.487 Da
  • Monoisotopic mass482.159027 Da
  • ChemSpider ID78441569

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S,6S)-3-(4-Hydroxybenzyl)-6-{[(6S)-6-hydroxy-12-oxo-6,12-dihydroindolo[2,1-b]chinazolin-6-yl]methyl}-2,5-piperazindion [German] [ACD/IUPAC Name]
(3S,6S)-3-(4-Hydroxybenzyl)-6-{[(6S)-6-hydroxy-12-oxo-6,12-dihydroindolo[2,1-b]quinazolin-6-yl]methyl}-2,5-piperazinedione [ACD/IUPAC Name]
(3S,6S)-3-(4-Hydroxybenzyl)-6-{[(6S)-6-hydroxy-12-oxo-6,12-dihydroindolo[2,1-b]quinazolin-6-yl]méthyl}-2,5-pipérazinedione [French] [ACD/IUPAC Name]
2,5-Piperazinedione, 3-[[(6S)-6,12-dihydro-6-hydroxy-12-oxoindolo[2,1-b]quinazolin-6-yl]methyl]-6-[(4-hydroxyphenyl)methyl]-, (3S,6S)- [ACD/Index Name]
Aspertryptanthrin B

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.769
Molar Refractivity: 129.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.63
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 3.08
ACD/KOC (pH 5.5): 77.92
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 3.07
ACD/KOC (pH 7.4): 77.65
Polar Surface Area: 131 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 70.4±7.0 dyne/cm
Molar Volume: 312.3±7.0 cm3

Click to predict properties on the Chemicalize site


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