Found 1 result

Search term: 34982000 (Found by CSID)
ChemSpider 2D Image | (1R,4S,5S,9S,11R,14S,15R,16S,19R)-5,15-Dihydroxy-16-methoxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0~1,13~.0~3,11~.0~4,9~.0~14,19~]docos-6-ene-2,8,12,18-tetrone | C19H20N2O7S2

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

  • Molecular FormulaC19H20N2O7S2
  • Average mass452.501 Da
  • Monoisotopic mass452.071198 Da
  • ChemSpider ID34982000

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1R,4S,5S,9S,11R,14S,15R,16S,19R)-5,15-Dihydroxy-16-methoxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docos-6-en-2,8,12,18-tetron [German] [ACD/IUPAC Name]
(1R,4S,5S,9S,11R,14S,15R,16S,19R)-5,15-Dihydroxy-16-methoxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docos-6-ene-2,8,12,18-tetrone [ACD/IUPAC Name]
(1R,4S,5S,9S,11R,14S,15R,16S,19R)-5,15-Dihydroxy-16-méthoxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docos-6-ène-2,8,12,18-tétrone [French] [ACD/IUPAC Name]
8H,13H-6a,13a-Epidithio-1H,6H-pyrazino[1,2-a:4,5-a']diindole-1,6,8,13-tetrone, 2,3,4,4a,7,7a,11,11a,14,14a-decahydro-4,11-dihydroxy-3-methoxy-, (3S,4R,4aS,6aR,7aS,11S,11aS,13aR,14aR)- [ACD/Index Name]
brocazine A

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

Density: 1.8±0.1 g/cm3
Boiling Point: 804.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.2±6.0 kJ/mol
Flash Point: 440.2±34.3 °C
Index of Refraction: 1.774
Molar Refractivity: 106.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.37
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.28
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.28
Polar Surface Area: 175 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 102.0±5.0 dyne/cm
Molar Volume: 255.7±5.0 cm3

Click to predict properties on the Chemicalize site


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