ChemSpider 2D Image | (3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14-Dihydroxy-18-methoxy-5,7,9,11,13,15-hexamethyl-19-[(2S,3R)-3-methyl-6-oxotetrahydro-2H-pyran-2-yl]-1,3,11,16-nonadecatetraen-6-yl carbamate | C33H55NO7

(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14-Dihydroxy-18-methoxy-5,7,9,11,13,15-hexamethyl-19-[(2S,3R)-3-methyl-6-oxotetrahydro-2H-pyran-2-yl]-1,3,11,16-nonadecatetraen-6-yl carbamate

  • Molecular FormulaC33H55NO7
  • Average mass577.792 Da
  • Monoisotopic mass577.397827 Da
  • ChemSpider ID9687377

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14-Dihydroxy-18-methoxy-5,7,9,11,13,15-hexamethyl-19-[(2S,3R)-3-methyl-6-oxotetrahydro-2H-pyran-2-yl]-1,3,11,16-nonadecatetraen-6-yl carbamate [ACD/IUPAC Name]
(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14-Dihydroxy-18-methoxy-5,7,9,11,13,15-hexamethyl-19-[(2S,3R)-3-methyl-6-oxotetrahydro-2H-pyran-2-yl]-1,3,11,16-nonadecatetraen-6-ylcarbamat [German] [ACD/IUPAC Name]
2H-Pyran-2-one, 6-[(2S,3Z,5S,6S,7S,8Z,11S,12R,13S,14S,15S,16Z)-14-[(aminocarbonyl)oxy]-6,12-dihydroxy-2-methoxy-5,7,9,11,13,15-hexamethyl-3,8,16,18-nonadecatetraen-1-yl]tetrahydro-5-methyl-, (5R,6S)- [ACD/Index Name]
Carbamate de (3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14-dihydroxy-18-méthoxy-5,7,9,11,13,15-hexaméthyl-19-[(2S,3R)-3-méthyl-6-oxotétrahydro-2H-pyran-2-yl]-1,3,11,16-nonadécatétraén-6-yle [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 717.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.8±6.0 kJ/mol
Flash Point: 387.8±32.9 °C
Index of Refraction: 1.507
Molar Refractivity: 164.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3040.79
ACD/KOC (pH 5.5): 10832.21
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3040.79
ACD/KOC (pH 7.4): 10832.19
Polar Surface Area: 128 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 551.9±3.0 cm3

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