ChemSpider 2D Image | 6-hydroxytryprostatin B | C21H25N3O3

6-hydroxytryprostatin B

  • Molecular FormulaC21H25N3O3
  • Average mass367.441 Da
  • Monoisotopic mass367.189606 Da
  • ChemSpider ID28540408

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,8aS)-3-{[6-Hydroxy-2-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]methyl}hexahydropyrrolo[1,2-a]pyrazin-1,4-dion [German] [ACD/IUPAC Name]
(3S,8aS)-3-{[6-Hydroxy-2-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]methyl}hexahydropyrrolo[1,2-a]pyrazine-1,4-dione [ACD/IUPAC Name]
(3S,8aS)-3-{[6-Hydroxy-2-(3-méthyl-2-butén-1-yl)-1H-indol-3-yl]méthyl}hexahydropyrrolo[1,2-a]pyrazine-1,4-dione [French] [ACD/IUPAC Name]
6-hydroxytryprostatin B
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-[[6-hydroxy-2-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]methyl]-, (3S,8aS)- [ACD/Index Name]
(3S,8aS)-3-{[6-hydroxy-2-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
6-hydroxytryprostatin
6hydroxytryprostatin B
desmethyltryprostatin A
  • Miscellaneous

    • Chemical Class:

      A cyclic dipeptide that is brevianamide F (<ital>cyclo</ital>-<stereo>L</stereo>-Trp-<stereo>L</stereo>-Pro) substituted at positions 2 and 6 on the indole ring by prenyl and hydroxy groups respective ly. ChEBI CHEBI:72762
      A cyclic dipeptide that is brevianamide F (cyclo-L-Trp-L-Pro) substituted at positions 2 and 6 on the indole ring by prenyl and hydroxy groups respective; ly. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:72762
      A cyclic dipeptide that is brevianamide F (cyclo-L-Trp-L-Pro) substituted at positions 2 and 6 on the indole ring by prenyl and hydroxy groups respectively. ChEBI CHEBI:72762

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

Density: 1.3±0.1 g/cm3
Boiling Point: 693.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 373.4±31.5 °C
Index of Refraction: 1.668
Molar Refractivity: 103.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.72
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 10.31
ACD/KOC (pH 5.5): 184.87
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 10.31
ACD/KOC (pH 7.4): 184.80
Polar Surface Area: 85 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 66.0±5.0 dyne/cm
Molar Volume: 277.1±5.0 cm3

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