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Search term: 81424681 (Found by CSID)
ChemSpider 2D Image | 7’-demethoxyrostratin C | C19H22N2O7S2

7’-demethoxyrostratin C

  • Molecular FormulaC19H22N2O7S2
  • Average mass454.517 Da
  • Monoisotopic mass454.086853 Da
  • ChemSpider ID81424681

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1R,4S,5R,6R,9R,11R,14S,15S,19R)-5,15-Dihydroxy-6-methoxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docosan-2,8,12,18-tetron [German] [ACD/IUPAC Name]
(1R,4S,5R,6R,9R,11R,14S,15S,19R)-5,15-Dihydroxy-6-methoxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docosane-2,8,12,18-tetrone [ACD/IUPAC Name]
(1R,4S,5R,6R,9R,11R,14S,15S,19R)-5,15-Dihydroxy-6-méthoxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docosane-2,8,12,18-tétrone [French] [ACD/IUPAC Name]
7’-demethoxyrostratin C
8H,13H-6a,13a-Epidithio-1H,6H-pyrazino[1,2-a:4,5-a']diindole-1,6,8,13-tetrone, dodecahydro-4,11-dihydroxy-3-methoxy-, (3R,4R,4aS,6aR,7aR,11S,11aS,13aR,14aR)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 750.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 124.8±6.0 kJ/mol
Flash Point: 407.5±32.9 °C
Index of Refraction: 1.748
Molar Refractivity: 106.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.22
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.35
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.35
Polar Surface Area: 175 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 97.8±5.0 dyne/cm
Molar Volume: 262.4±5.0 cm3

Click to predict properties on the Chemicalize site


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