ChemSpider 2D Image | (1'R,2S,3R,4S,10'R,11'R,12'S)-4-(Hydroxymethyl)-5'-methoxy-5,5,6',10',12'-pentamethyl-4,5-dihydro-3H-spiro[furan-2,13'-[14]oxatetracyclo[9.3.2.0~1,10~.0~2,7~]hexadeca[2,4,6,8]tetraen]-3-ol | C25H34O5

(1'R,2S,3R,4S,10'R,11'R,12'S)-4-(Hydroxymethyl)-5'-methoxy-5,5,6',10',12'-pentamethyl-4,5-dihydro-3H-spiro[furan-2,13'-[14]oxatetracyclo[9.3.2.01,10.02,7]hexadeca[2,4,6,8]tetraen]-3-ol

  • Molecular FormulaC25H34O5
  • Average mass414.534 Da
  • Monoisotopic mass414.240631 Da
  • ChemSpider ID78437666

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1'R,2S,3R,4S,10'R,11'R,12'S)-4-(Hydroxymethyl)-5'-methoxy-5,5,6',10',12'-pentamethyl-4,5-dihydro-3H-spiro[furan-2,13'-[14]oxatetracyclo[9.3.2.01,10.02,7]hexadeca[2,4,6,8]tetraen]-3-ol [ACD/IUPAC Name]
Blazeispirol I

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

Density: 1.2±0.1 g/cm3
Boiling Point: 567.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 297.2±30.1 °C
Index of Refraction: 1.603
Molar Refractivity: 114.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1114.26
ACD/KOC (pH 5.5): 5279.98
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1114.26
ACD/KOC (pH 7.4): 5279.98
Polar Surface Area: 68 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 334.1±5.0 cm3

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