ChemSpider 2D Image | (3Z,5S,6S,7S,8R,9S,11Z,13S,14R,15S,16Z,18S)-8,14,18-Trihydroxy-19-[(3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxotetrahydro-2H-pyran-2-yl]-5,7,9,11,13,15,17-heptamethyl-1,3,11,16-nonadecatetraen-6-yl carbama te | C34H57NO8

(3Z,5S,6S,7S,8R,9S,11Z,13S,14R,15S,16Z,18S)-8,14,18-Trihydroxy-19-[(3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxotetrahydro-2H-pyran-2-yl]-5,7,9,11,13,15,17-heptamethyl-1,3,11,16-nonadecatetraen-6-yl carbama te

  • Molecular FormulaC34H57NO8
  • Average mass607.818 Da
  • Monoisotopic mass607.408447 Da
  • ChemSpider ID9896113

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 13 defined stereocentres

More details:

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

(3Z,5S,6S,7S,8R,9S,11Z,13S,14R,15S,16Z,18S)-8,14,18-Trihydroxy-19-[(3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxotetrahydro-2H-pyran-2-yl]-5,7,9,11,13,15,17-heptamethyl-1,3,11,16-nonadecatetraen-6-yl carbama te [ACD/IUPAC Name]
(3Z,5S,6S,7S,8R,9S,11Z,13S,14R,15S,16Z,18S)-8,14,18-Trihydroxy-19-[(3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxotetrahydro-2H-pyran-2-yl]-5,7,9,11,13,15,17-heptamethyl-1,3,11,16-nonadecatetraen-6-ylcarbamat [German] [ACD/IUPAC Name]
Carbamate de (3Z,5S,6S,7S,8R,9S,11Z,13S,14R,15S,16Z,18S)-8,14,18-trihydroxy-19-[(3R,4S,5R)-4-hydroxy-3,5-diméthyl-6-oxotétrahydro-2H-pyran-2-yl]-5,7,9,11,13,15,17-heptaméthyl-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: 783.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.9±6.0 kJ/mol
Flash Point: 427.4±32.9 °C
Index of Refraction: 1.520
Molar Refractivity: 170.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1089.94
ACD/KOC (pH 5.5): 5197.23
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1089.94
ACD/KOC (pH 7.4): 5197.21
Polar Surface Area: 160 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 559.8±3.0 cm3

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