Found 1 result

Search term: 28289754 (Found by CSID)
ChemSpider 2D Image | (1S,2S,3S,5aS,10aR)-1,10a-Dihydroxy-6'-methoxy-3-(2-methyl-1-propen-1-yl)-5a,6,7,8-tetrahydro-1H,5H-spiro[dipyrrolo[1,2-a:1',2'-d]pyrazine-2,3'-indole]-2',5,10(1'H,10aH)-trione | C22H25N3O6

(1S,2S,3S,5aS,10aR)-1,10a-Dihydroxy-6'-methoxy-3-(2-methyl-1-propen-1-yl)-5a,6,7,8-tetrahydro-1H,5H-spiro[dipyrrolo[1,2-a:1',2'-d]pyrazine-2,3'-indole]-2',5,10(1'H,10aH)-trione

  • Molecular FormulaC22H25N3O6
  • Average mass427.450 Da
  • Monoisotopic mass427.174347 Da
  • ChemSpider ID28289754

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S,2S,3S,5aS,10aR)-1,10a-Dihydroxy-6'-methoxy-3-(2-methyl-1-propen-1-yl)-5a,6,7,8-tetrahydro-1H,5H-spiro[dipyrrolo[1,2-a:1',2'-d]pyrazine-2,3'-indole]-2',5,10(1'H,10aH)-trione [ACD/IUPAC Name]
Spiro[1H,5H-dipyrrolo[1,2-a:1',2'-d]pyrazine-2(10H),3'-[3H]indole]-2',5,10(1'H,3H)-trione, 1,5a,6,7,8,10a-hexahydro-1,10a-dihydroxy-6'-methoxy-3-(2-methyl-1-propen-1-yl)-, (1S,2S,3S,5aS,10aR)- [ACD/Index Name]
spirotryprostatin F

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

Density: 1.5±0.1 g/cm3
Boiling Point: 716.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 387.4±32.9 °C
Index of Refraction: 1.695
Molar Refractivity: 108.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 9.35
ACD/KOC (pH 5.5): 172.43
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 9.35
ACD/KOC (pH 7.4): 172.33
Polar Surface Area: 119 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 79.1±5.0 dyne/cm
Molar Volume: 283.1±5.0 cm3

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