ChemSpider 2D Image | (2S,3'S,4S,8'R,9a'S)-8'-Methoxy-4-methyl-3'-[(2R,4R)-4-methyl-5-oxotetrahydro-2-furanyl]-5'-thioxodecahydro-5H-spiro[furan-2,9'-pyrrolo[1,2-a]azepin]-5-one | C19H27NO5S

(2S,3'S,4S,8'R,9a'S)-8'-Methoxy-4-methyl-3'-[(2R,4R)-4-methyl-5-oxotetrahydro-2-furanyl]-5'-thioxodecahydro-5H-spiro[furan-2,9'-pyrrolo[1,2-a]azepin]-5-one

  • Molecular FormulaC19H27NO5S
  • Average mass381.486 Da
  • Monoisotopic mass381.160980 Da
  • ChemSpider ID30652033

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2S,3'S,4S,8'R,9a'S)-8'-Methoxy-4-methyl-3'-[(2R,4R)-4-methyl-5-oxotetrahydro-2-furanyl]-5'-thioxodecahydro-5H-spiro[furan-2,9'-pyrrolo[1,2-a]azepin]-5-one [ACD/IUPAC Name]
Spiro[furan-2(5H),9'-[9H]pyrrolo[1,2-a]azepin]-5-one, decahydro-8'-methoxy-4-methyl-3'-[(2R,4R)-tetrahydro-4-methyl-5-oxo-2-furanyl]-5'-thioxo-, (2S,3'S,4S,8'R,9a'S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 582.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 306.2±32.9 °C
Index of Refraction: 1.583
Molar Refractivity: 98.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.18
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.08
ACD/KOC (pH 5.5): 36.64
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.08
ACD/KOC (pH 7.4): 36.64
Polar Surface Area: 97 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 293.8±5.0 cm3

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