Found 18 results

Search term: MF = 'C_{19}H_{22}O_{8}S'
ChemSpider 2D Image | cyclothiocurvularin B | C19H22O8S

cyclothiocurvularin B

  • Molecular FormulaC19H22O8S
  • Average mass410.438 Da
  • Monoisotopic mass410.103546 Da
  • ChemSpider ID58196977

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,3aS,7S,15aS)-1,12,14-Trihydroxy-7-methyl-9,15-dioxo-1,2,4,5,6,7,9,10,15,15a-decahydro-3aH-thieno[2,3-h][3]benzoxacyclododecin-1-carbonsäure [German] [ACD/IUPAC Name]
(1R,3aS,7S,15aS)-1,12,14-Trihydroxy-7-methyl-9,15-dioxo-1,2,4,5,6,7,9,10,15,15a-decahydro-3aH-thieno[2,3-h][3]benzoxacyclododecine-1-carboxylic acid [ACD/IUPAC Name]
5H-Thieno[2,3-h][3]benzoxacyclododecin-1-carboxylic acid, 1,2,3a,4,6,7,9,10,15,15a-decahydro-1,12,14-trihydroxy-7-methyl-9,15-dioxo-, (1R,3aS,7S,15aS)- [ACD/Index Name]
Acide (1R,3aS,7S,15aS)-1,12,14-trihydroxy-7-méthyl-9,15-dioxo-1,2,4,5,6,7,9,10,15,15a-décahydro-3aH-thiéno[2,3-h][3]benzoxacyclododécine-1-carboxylique [French] [ACD/IUPAC Name]
cyclothiocurvularin B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 775.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.3±3.0 kJ/mol
Flash Point: 422.5±32.9 °C
Index of Refraction: 1.615
Molar Refractivity: 99.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.00
ACD/LogD (pH 5.5): -0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 167 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 64.2±3.0 dyne/cm
Molar Volume: 285.0±3.0 cm3

Click to predict properties on the Chemicalize site


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