ChemSpider 2D Image | (6aS)-5-Chloro-2-[2-(2-hydroxyethoxy)ethyl]-9-[(2S,3R)-3-hydroxy-2-methylbutanoyl]-6a-methyl-3-[(1E,3S)-3-methyl-1-penten-1-yl]furo[2,3-h]isoquinoline-6,8(2H,6aH)-dione | C27H34ClNO7

(6aS)-5-Chloro-2-[2-(2-hydroxyethoxy)ethyl]-9-[(2S,3R)-3-hydroxy-2-methylbutanoyl]-6a-methyl-3-[(1E,3S)-3-methyl-1-penten-1-yl]furo[2,3-h]isoquinoline-6,8(2H,6aH)-dione

  • Molecular FormulaC27H34ClNO7
  • Average mass520.014 Da
  • Monoisotopic mass519.202393 Da
  • ChemSpider ID78439257

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(6aS)-5-Chlor-2-[2-(2-hydroxyethoxy)ethyl]-9-[(2S,3R)-3-hydroxy-2-methylbutanoyl]-6a-methyl-3-[(1E,3S)-3-methyl-1-penten-1-yl]furo[2,3-h]isochinolin-6,8(2H,6aH)-dion [German] [ACD/IUPAC Name]
(6aS)-5-Chloro-2-[2-(2-hydroxyéthoxy)éthyl]-9-[(2S,3R)-3-hydroxy-2-méthylbutanoyl]-6a-méthyl-3-[(1E,3S)-3-méthyl-1-pentén-1-yl]furo[2,3-h]isoquinoléine-6,8(2H,6aH)-dione [French] [ACD/IUPAC Name]
(6aS)-5-Chloro-2-[2-(2-hydroxyethoxy)ethyl]-9-[(2S,3R)-3-hydroxy-2-methylbutanoyl]-6a-methyl-3-[(1E,3S)-3-methyl-1-penten-1-yl]furo[2,3-h]isoquinoline-6,8(2H,6aH)-dione [ACD/IUPAC Name]
Furo[2,3-h]isoquinoline-6,8(2H,6aH)-dione, 5-chloro-2-[2-(2-hydroxyethoxy)ethyl]-9-[(2S,3R)-3-hydroxy-2-methyl-1-oxobutyl]-6a-methyl-3-[(1E,3S)-3-methyl-1-penten-1-yl]-, (6aS)- [ACD/Index Name]
chaetoviridide B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 699.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.1±6.0 kJ/mol
Flash Point: 376.9±31.5 °C
Index of Refraction: 1.594
Molar Refractivity: 134.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: -0.01
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 4.07
ACD/KOC (pH 5.5): 95.12
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 4.07
ACD/KOC (pH 7.4): 95.12
Polar Surface Area: 113 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 397.1±5.0 cm3

Click to predict properties on the Chemicalize site


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