Found 1 result

Search term: 24659255 (Found by CSID)
ChemSpider 2D Image | (3S,4R,4aS,6aR,7aR,10S,11R,11aS,13aR,14aR)-3,4,10,11-Tetrahydroxy-6a,13a-bis(methylsulfanyl)dodecahydro-1H,6H-indolo[1',2':4,5]pyrazino[1,2-a]indole-1,6,8,13(2H,6aH)-tetrone | C20H26N2O8S2

(3S,4R,4aS,6aR,7aR,10S,11R,11aS,13aR,14aR)-3,4,10,11-Tetrahydroxy-6a,13a-bis(methylsulfanyl)dodecahydro-1H,6H-indolo[1',2':4,5]pyrazino[1,2-a]indole-1,6,8,13(2H,6aH)-tetrone

  • Molecular FormulaC20H26N2O8S2
  • Average mass486.559 Da
  • Monoisotopic mass486.113068 Da
  • ChemSpider ID24659255

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3S,4R,4aS,6aR,7aR,10S,11R,11aS,13aR,14aR)-3,4,10,11-Tetrahydroxy-6a,13a-bis(methylsulfanyl)dodecahydro-1H,6H-indolo[1',2':4,5]pyrazino[1,2-a]indol-1,6,8,13(2H,6aH)-tetron [German] [ACD/IUPAC Name]
(3S,4R,4aS,6aR,7aR,10S,11R,11aS,13aR,14aR)-3,4,10,11-Tetrahydroxy-6a,13a-bis(methylsulfanyl)dodecahydro-1H,6H-indolo[1',2':4,5]pyrazino[1,2-a]indole-1,6,8,13(2H,6aH)-tetrone [ACD/IUPAC Name]
(3S,4R,4aS,6aR,7aR,10S,11R,11aS,13aR,14aR)-3,4,10,11-Tétrahydroxy-6a,13a-bis(méthylsulfanyl)dodécahydro-1H,6H-indolo[1',2':4,5]pyrazino[1,2-a]indole-1,6,8,13(2H,6aH)-tétrone [French] [ACD/IUPAC Name]
1H,6H-Pyrazino[1,2-a:4,5-a']diindole-1,6,8,13(2H,6aH)-tetrone, dodecahydro-3,4,10,11-tetrahydroxy-6a,13a-bis(methylthio)-, (3S,4R,4aS,6aR,7aR,10S,11R,11aS,13aR,14aR)- [ACD/Index Name]
Epicoccin H

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

Density: 1.7±0.1 g/cm3
Boiling Point: 754.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.4±6.0 kJ/mol
Flash Point: 410.2±32.9 °C
Index of Refraction: 1.733
Molar Refractivity: 114.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -1.57
ACD/LogD (pH 5.5): -1.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.40
ACD/LogD (pH 7.4): -1.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.40
Polar Surface Area: 206 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 100.2±5.0 dyne/cm
Molar Volume: 286.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement