ChemSpider 2D Image | 1-hydroxybyssochlamic acid | C18H20O7

1-hydroxybyssochlamic acid

  • Molecular FormulaC18H20O7
  • Average mass348.347 Da
  • Monoisotopic mass348.120911 Da
  • ChemSpider ID23076553

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4R,10S,11S)-10-Ethyl-11-hydroxy-4-propyl-5,9,10,11-tetrahydro-1H-furo[3',4':5,6]cyclonona[1,2-c]furan-1,3,6,8(4H)-tetron [German] [ACD/IUPAC Name]
(4R,10S,11S)-10-Ethyl-11-hydroxy-4-propyl-5,9,10,11-tetrahydro-1H-furo[3',4':5,6]cyclonona[1,2-c]furan-1,3,6,8(4H)-tetrone [ACD/IUPAC Name]
(4R,10S,11S)-10-Éthyl-11-hydroxy-4-propyl-5,9,10,11-tétrahydro-1H-furo[3',4':5,6]cyclonona[1,2-c]furane-1,3,6,8(4H)-tétrone [French] [ACD/IUPAC Name]
1H-Cyclonona[1,2-c:5,6-c']difuran-1,3,6,8(4H)-tetrone, 10-ethyl-5,9,10,11-tetrahydro-11-hydroxy-4-propyl-, (4R,10S,11S)- [ACD/Index Name]
1-hydroxybyssochlamic acid
(-)-1-hydroxybyssochlamic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 588.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.8±6.0 kJ/mol
Flash Point: 214.5±23.6 °C
Index of Refraction: 1.572
Molar Refractivity: 83.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 14.19
ACD/KOC (pH 5.5): 232.42
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 14.19
ACD/KOC (pH 7.4): 232.42
Polar Surface Area: 107 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 56.2±5.0 dyne/cm
Molar Volume: 253.9±5.0 cm3

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