ChemSpider 2D Image | TRYPTOQUIVALINE E | C22H18N4O5

TRYPTOQUIVALINE E

  • Molecular FormulaC22H18N4O5
  • Average mass418.402 Da
  • Monoisotopic mass418.127716 Da
  • ChemSpider ID32701846

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,2'S,4S,9a'S)-1'-Hydroxy-2'-methyl-4-(4-oxo-3(4H)-quinazolinyl)-1',9a'-dihydro-3H-spiro[furan-2,9'-imidazo[1,2-a]indole]-3',5(2'H,4H)-dione [ACD/IUPAC Name]
61897-87-8 [RN]
Spiro[furan-2(5H),9'-[9H]imidazo[1,2-a]indole]-3',5(2'H)-dione, 1',3,4,9'a-tetrahydro-1'-hydroxy-2'-methyl-4-(4-oxo-3(4H)-quinazolinyl)-, (2S,2'S,4S,9a'S)- [ACD/Index Name]
TRYPTOQUIVALINE E

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

2AUV4V03RU [DBID]
UNII:2AUV4V03RU [DBID]
UNII-2AUV4V03RU [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 765.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.9±3.0 kJ/mol
Flash Point: 416.5±35.7 °C
Index of Refraction: 1.807
Molar Refractivity: 108.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.55
ACD/LogD (pH 5.5): -0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.73
ACD/LogD (pH 7.4): -0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.56
Polar Surface Area: 103 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 76.2±7.0 dyne/cm
Molar Volume: 252.6±7.0 cm3

Click to predict properties on the Chemicalize site


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