ChemSpider 2D Image | (2S,3S)-7-Hydroxy-3,4',5-trimethyl-3,4-dihydro-3'H,8H-spiro[cyclohepta[b]pyran-2,2'-furan]-3',8-dione | C16H16O5

(2S,3S)-7-Hydroxy-3,4',5-trimethyl-3,4-dihydro-3'H,8H-spiro[cyclohepta[b]pyran-2,2'-furan]-3',8-dione

  • Molecular FormulaC16H16O5
  • Average mass288.295 Da
  • Monoisotopic mass288.099762 Da
  • ChemSpider ID78440279

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-7-Hydroxy-3,4',5-trimethyl-3,4-dihydro-3'H,8H-spiro[cyclohepta[b]pyran-2,2'-furan]-3',8-dione [ACD/IUPAC Name]
Spiro[cyclohepta[b]pyran-2(8H),2'(3'H)-furan]-3',8-dione, 3,4-dihydro-7-hydroxy-3,4',5-trimethyl-, (2S,3S)- [ACD/Index Name]
Malettinin A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 555.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.2±6.0 kJ/mol
Flash Point: 211.2±23.6 °C
Index of Refraction: 1.608
Molar Refractivity: 73.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.99
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 4.47
ACD/KOC (pH 5.5): 101.67
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 4.45
ACD/KOC (pH 7.4): 101.27
Polar Surface Area: 73 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 213.3±5.0 cm3

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