ChemSpider 2D Image | 2H-Pyrazino(1',2':1,5)pyrrolo(2,3-b)indole-1,4(3H,5aH)-dione, 9-chloro-6,10b,11,11a-tetrahydro-10b,11-dihydroxy-7,8-dimethoxy-2,3,6-trimethyl-3,11a-bis(methylthio)- | C20H26ClN3O6S2

2H-Pyrazino(1',2':1,5)pyrrolo(2,3-b)indole-1,4(3H,5aH)-dione, 9-chloro-6,10b,11,11a-tetrahydro-10b,11-dihydroxy-7,8-dimethoxy-2,3,6-trimethyl-3,11a-bis(methylthio)-

  • Molecular FormulaC20H26ClN3O6S2
  • Average mass504.020 Da
  • Monoisotopic mass503.095154 Da
  • ChemSpider ID2341378

More details:

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

2H-Pyrazino(1',2':1,5)pyrrolo(2,3-b)indole-1,4(3H,5aH)-dione, 9-chloro-6,10b,11,11a-tetrahydro-10b,11-dihydroxy-7,8-dimethoxy-2,3,6-trimethyl-3,11a-bis(methylthio)-
2H-Pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione, 9-chloro-6,10b,11,11a-tetrahydro-10b,11-dihydroxy-7,8-dimethoxy-2,3,6-trimethyl-3,11a-bis(methylthio)- [ACD/Index Name]
9-Chlor-10b,11-dihydroxy-7,8-dimethoxy-2,3,6-trimethyl-3,11a-bis(methylsulfanyl)-6,10b,11,11a-tetrahydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indol-1,4(3H,5aH)-dion [German] [ACD/IUPAC Name]
9-Chloro-10b,11-dihydroxy-7,8-dimethoxy-2,3,6-trimethyl-3,11a-bis(methylsulfanyl)-6,10b,11,11a-tetrahydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione [ACD/IUPAC Name]
9-Chloro-10b,11-dihydroxy-7,8-diméthoxy-2,3,6-triméthyl-3,11a-bis(méthylsulfanyl)-6,10b,11,11a-tétrahydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione [French] [ACD/IUPAC Name]
18180-71-7 [RN]
Sporidesmin D

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

Density: 1.6±0.1 g/cm3
Boiling Point: 750.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.8±3.0 kJ/mol
Flash Point: 407.8±32.9 °C
Index of Refraction: 1.701
Molar Refractivity: 124.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 48.84
ACD/KOC (pH 5.5): 562.93
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 48.83
ACD/KOC (pH 7.4): 562.79
Polar Surface Area: 153 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 79.4±5.0 dyne/cm
Molar Volume: 322.1±5.0 cm3

Click to predict properties on the Chemicalize site


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