ChemSpider 2D Image | (3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-19-[(2S,3S)-3,5-Dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-1,3,11,16-nonadecatetraen-6-yl carbamate | C33H53NO7

(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-19-[(2S,3S)-3,5-Dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-1,3,11,16-nonadecatetraen-6-yl carbamate

  • Molecular FormulaC33H53NO7
  • Average mass575.776 Da
  • Monoisotopic mass575.382202 Da
  • ChemSpider ID9551537

  • 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)-19-[(2S,3S)-3,5-Dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-1,3,11,16-nonadecatetraen-6-yl carbamate [ACD/IUPAC Name]
(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-19-[(2S,3S)-3,5-Dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-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]-2,6,12-trihydroxy-5,7,9,11,13,15-hexamethyl-3,8,16,18-nonadecatetraen-1-yl]-5,6-dihydro-3,5-dimethyl-, (5S,6S)- [ACD/Index Name]
Carbamate de (3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-19-[(2S,3S)-3,5-diméthyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-8,14,18-trihydroxy-5,7,9,11,13,15-hexaméthyl-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: 1.1±0.1 g/cm3
Boiling Point: 752.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.1±6.0 kJ/mol
Flash Point: 408.9±32.9 °C
Index of Refraction: 1.520
Molar Refractivity: 163.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 3302.24
ACD/KOC (pH 5.5): 11490.99
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 3302.23
ACD/KOC (pH 7.4): 11490.97
Polar Surface Area: 139 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 537.8±3.0 cm3

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