Found 1 result

Search term: 34981983 (Found by CSID)
ChemSpider 2D Image | (1R,4S,5R,6S,9R,11R,14S,15S,18S,19S)-5,6,15,18-Tetrahydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0~1,13~.0~3,11~.0~4,9~.0~14,19~]docos-16-ene-2,8,12-trione | C18H20N2O7S2

(1R,4S,5R,6S,9R,11R,14S,15S,18S,19S)-5,6,15,18-Tetrahydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docos-16-ene-2,8,12-trione

  • Molecular FormulaC18H20N2O7S2
  • Average mass440.491 Da
  • Monoisotopic mass440.071198 Da
  • ChemSpider ID34981983

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1R,4S,5R,6S,9R,11R,14S,15S,18S,19S)-5,6,15,18-Tetrahydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docos-16-en-2,8,12-trion [German] [ACD/IUPAC Name]
(1R,4S,5R,6S,9R,11R,14S,15S,18S,19S)-5,6,15,18-Tetrahydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docos-16-ene-2,8,12-trione [ACD/IUPAC Name]
(1R,4S,5R,6S,9R,11R,14S,15S,18S,19S)-5,6,15,18-Tétrahydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docos-16-ène-2,8,12-trione [French] [ACD/IUPAC Name]
7H,13H-6a,13a-Epidithio-1H,6H-pyrazino[1,2-a:4,5-a']diindole-1,6,13-trione, 2,3,4,4a,7a,8,11,11a,14,14a-decahydro-3,4,8,11-tetrahydroxy-, (3S,4R,4aS,6aR,7aS,8S,11S,11aS,13aR,14aR)- [ACD/Index Name]
brocazine C

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

Density: 1.9±0.1 g/cm3
Boiling Point: 815.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 134.9±6.0 kJ/mol
Flash Point: 446.8±34.3 °C
Index of Refraction: 1.845
Molar Refractivity: 103.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.81
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.45
ACD/LogD (pH 7.4): -0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.45
Polar Surface Area: 189 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 127.4±5.0 dyne/cm
Molar Volume: 231.9±5.0 cm3

Click to predict properties on the Chemicalize site


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