ChemSpider 2D Image | lehualide H | C20H32O5S

lehualide H

  • Molecular FormulaC20H32O5S
  • Average mass384.530 Da
  • Monoisotopic mass384.197052 Da
  • ChemSpider ID26347262

More details:

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

1280217-97-1 [RN]
Éthanethioate de S-[10-(3,4-diméthoxy-5-méthyl-2-oxo-2H-pyran-6-yl)décyle] [French] [ACD/IUPAC Name]
Ethanethioic acid, S-[10-(3,4-dimethoxy-5-methyl-2-oxo-2H-pyran-6-yl)decyl] ester [ACD/Index Name]
lehualide H
S-[10-(3,4-Dimethoxy-5-methyl-2-oxo-2H-pyran-6-yl)decyl] ethanethioate [ACD/IUPAC Name]
S-[10-(3,4-Dimethoxy-5-methyl-2-oxo-2H-pyran-6-yl)decyl]-ethanthioat [German] [ACD/IUPAC Name]
  • Miscellaneous

    • Chemical Class:

      A member of the class of 2-pyranones that is 2<element>H</element>-pyran-2-one substituted by methoxy groups at positions 3 and 4, a methyl group at position 5 and a 10-(acetylsulfanyl)decyl group at position 6. Isolated from the marine sponge of the genus <ital>Plakortis</ital>, it exhibits cytotoxicity against human promyeloid leukemic HL-60 cells. ChEBI CHEBI:68008
      A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by methoxy groups at positions 3 and 4, a methyl group at position 5 and a 10-(acetylsulfanyl)decyl group at ; position 6. Isola ted from the marine sponge of the genus Plakortis, it exhibits cytotoxicity against human promyeloid leukemic HL-60 cells. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68008
      A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by methoxy groups at positions 3 and 4, a methyl group at position 5 and a 10-(acetylsulfanyl)decyl group at position 6. Isolate d from the marine sponge of the genus Plakortis, it exhibits cytotoxicity against human promyeloid leukemic HL-60 cells. ChEBI CHEBI:68008

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

Density: 1.1±0.1 g/cm3
Boiling Point: 534.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 260.9±18.1 °C
Index of Refraction: 1.510
Molar Refractivity: 105.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 4.71
ACD/BCF (pH 5.5): 2233.18
ACD/KOC (pH 5.5): 8684.73
ACD/LogD (pH 7.4): 4.71
ACD/BCF (pH 7.4): 2233.18
ACD/KOC (pH 7.4): 8684.73
Polar Surface Area: 87 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 40.7±5.0 dyne/cm
Molar Volume: 350.8±5.0 cm3

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