ChemSpider 2D Image | [(1R,4R,5'S,6S,6'S,8R,10Z,13S,14Z,16Z,20S,21S,24R)-21,24-Dihydroxy-5',6',11,13-tetramethyl-2-oxo-3',4',5',6'-tetrahydrospiro[3,7-dioxatetracyclo[15.6.1.1~4,8~.0~20,24~]pentacosa-10,14,16,22-tetraene-6 ,2'-pyran]-22-yl]methyl 3-methyl-2-butenoate | C37H52O8

[(1R,4R,5'S,6S,6'S,8R,10Z,13S,14Z,16Z,20S,21S,24R)-21,24-Dihydroxy-5',6',11,13-tetramethyl-2-oxo-3',4',5',6'-tetrahydrospiro[3,7-dioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6 ,2'-pyran]-22-yl]methyl 3-methyl-2-butenoate

  • Molecular FormulaC37H52O8
  • Average mass624.804 Da
  • Monoisotopic mass624.366211 Da
  • ChemSpider ID59702062

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

[(1R,4R,5'S,6S,6'S,8R,10Z,13S,14Z,16Z,20S,21S,24R)-21,24-Dihydroxy-5',6',11,13-tetramethyl-2-oxo-3',4',5',6'-tetrahydrospiro[3,7-dioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6 ,2'-pyran]-22-yl]methyl 3-methyl-2-butenoate [ACD/IUPAC Name]
E'meilingmycin'

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

Density: 1.2±0.1 g/cm3
Boiling Point: 772.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.2±6.0 kJ/mol
Flash Point: 236.2±26.4 °C
Index of Refraction: 1.573
Molar Refractivity: 171.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 7.34
ACD/LogD (pH 5.5): 6.61
ACD/BCF (pH 5.5): 62007.91
ACD/KOC (pH 5.5): 93759.42
ACD/LogD (pH 7.4): 6.61
ACD/BCF (pH 7.4): 62007.50
ACD/KOC (pH 7.4): 93758.80
Polar Surface Area: 112 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 521.5±5.0 cm3

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