ChemSpider 2D Image | (3S,3'S,5aR,5a'R,11aS,11a'S)-3-Benzyl-3'-isobutyl-2,2',3,3',5a,5a',6,6',11,11',11a,11a'-dodecahydro-10b,10b'-bipyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,1',4,4'-tetrone | C37H38N6O4

(3S,3'S,5aR,5a'R,11aS,11a'S)-3-Benzyl-3'-isobutyl-2,2',3,3',5a,5a',6,6',11,11',11a,11a'-dodecahydro-10b,10b'-bipyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,1',4,4'-tetrone

  • Molecular FormulaC37H38N6O4
  • Average mass630.735 Da
  • Monoisotopic mass630.295471 Da
  • ChemSpider ID78438252

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(3S,3'S,5aR,5a'R,11aS,11a'S)-3-Benzyl-3'-isobutyl-2,2',3,3',5a,5a',6,6',11,11',11a,11a'-dodecahydro-10b,10b'-bipyrazino[1',2':1,5]pyrrolo[2,3-b]indol-1,1',4,4'-tetron [German] [ACD/IUPAC Name]
(3S,3'S,5aR,5a'R,11aS,11a'S)-3-Benzyl-3'-isobutyl-2,2',3,3',5a,5a',6,6',11,11',11a,11a'-dodecahydro-10b,10b'-bipyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,1',4,4'-tetrone [ACD/IUPAC Name]
(3S,3'S,5aR,5a'R,11aS,11a'S)-3-Benzyl-3'-isobutyl-2,2',3,3',5a,5a',6,6',11,11',11a,11a'-dodécahydro-10b,10b'-bipyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,1',4,4'-tétrone [French] [ACD/IUPAC Name]
[10b,10'b-Bi-10bH-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole]-1,1',4,4'-tetrone, 2,2',3,3',5a,5'a,6,6',11,11',11a,11'a-dodecahydro-3-(2-methylpropyl)-3'-(phenylmethyl)-, (3S,3'S,5aR,5a'R,11aS,11a'S)- [ACD/Index Name]
WIN-64745

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.729
Molar Refractivity: 174.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.56
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 8.04
ACD/KOC (pH 5.5): 154.72
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 8.05
ACD/KOC (pH 7.4): 154.90
Polar Surface Area: 123 Å2
Polarizability: 69.2±0.5 10-24cm3
Surface Tension: 76.9±5.0 dyne/cm
Molar Volume: 438.0±5.0 cm3

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