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Search term: 27023455 (Found by CSID)
ChemSpider 2D Image | spirotryprostatin C | C27H33N3O6

spirotryprostatin C

  • Molecular FormulaC27H33N3O6
  • Average mass495.567 Da
  • Monoisotopic mass495.236938 Da
  • ChemSpider ID27023455

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,2S,3S,5aS,10aR)-1,10a-Dihydroxy-6'-methoxy-1'-(3-methyl-2-buten-1-yl)-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)-tri one [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-1'-(3-methyl-2-buten-1-yl)-3-(2-methyl-1-propen-1-yl)-, ( 1S,2S,3S,5aS,10aR)- [ACD/Index Name]
spirotryprostatin C

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

Density: 1.4±0.1 g/cm3
Boiling Point: 771.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.8±3.0 kJ/mol
Flash Point: 420.3±32.9 °C
Index of Refraction: 1.664
Molar Refractivity: 131.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 77.55
ACD/KOC (pH 5.5): 783.75
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 77.51
ACD/KOC (pH 7.4): 783.35
Polar Surface Area: 111 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 69.5±5.0 dyne/cm
Molar Volume: 355.6±5.0 cm3

Click to predict properties on the Chemicalize site


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