ChemSpider 2D Image | (1R,3S,5S,8R,10R,11S,13S,16R,17S)-10-Hydroxy-8-[(2S,3S)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)-4,6,8-nonatrien-2-yl]-11,16-dimethyl-4,7,12,18-tetraoxatetracyclo[15.3.1.0~3,5~.0~11,13~]hen icos-14-ene-6,19-dione | C35H47NO9

(1R,3S,5S,8R,10R,11S,13S,16R,17S)-10-Hydroxy-8-[(2S,3S)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)-4,6,8-nonatrien-2-yl]-11,16-dimethyl-4,7,12,18-tetraoxatetracyclo[15.3.1.03,5.011,13]hen icos-14-ene-6,19-dione

  • Molecular FormulaC35H47NO9
  • Average mass625.749 Da
  • Monoisotopic mass625.325073 Da
  • ChemSpider ID5145252

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1R,3S,5S,8R,10R,11S,13S,16R,17S)-10-Hydroxy-8-[(2S,3S)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)-4,6,8-nonatrien-2-yl]-11,16-dimethyl-4,7,12,18-tetraoxatetracyclo[15.3.1.03,5.011,13]hen icos-14-en-6,19-dion [German] [ACD/IUPAC Name]
(1R,3S,5S,8R,10R,11S,13S,16R,17S)-10-Hydroxy-8-[(2S,3S)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)-4,6,8-nonatrien-2-yl]-11,16-dimethyl-4,7,12,18-tetraoxatetracyclo[15.3.1.03,5.011,13]hen icos-14-ene-6,19-dione [ACD/IUPAC Name]
(1R,3S,5S,8R,10R,11S,13S,16R,17S)-10-Hydroxy-8-[(2S,3S)-3-méthoxy-4,8-diméthyl-9-(2-méthyl-1,3-oxazol-4-yl)-4,6,8-nonatrién-2-yl]-11,16-diméthyl-4,7,12,18-tétraoxatétracyclo[15.3.1.03,5.011,13]hén icos-14-ène-6,19-dione [French] [ACD/IUPAC Name]
4,7,12,18-Tetraoxatetracyclo[15.3.1.03,5.011,13]heneicos-14-ene-6,19-dione, 10-hydroxy-8-[(1S,2S)-2-methoxy-1,3,7-trimethyl-8-(2-methyl-4-oxazolyl)-3,5,7-octatrien-1-yl]-11,16-dimethyl-, (1R,3S,5S
 ,8R,10R,11S,13S,16R,17S)- [ACD/Index Name]

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

NCIMech_000728 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 799.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.9±3.0 kJ/mol
Flash Point: 437.5±32.9 °C
Index of Refraction: 1.539
Molar Refractivity: 168.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.43
ACD/KOC (pH 5.5): 701.55
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.44
ACD/KOC (pH 7.4): 701.64
Polar Surface Area: 133 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 536.7±3.0 cm3

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