ChemSpider 2D Image | (3E,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-7,8,14,18-Tetrahydroxy-19-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxotetrahydro-2H-pyran-2-yl]-5,9,11,13,15-pentamethyl-1,3,11,16-nonadecatetraen-6-yl carba mate (non-preferred name) | C32H53NO9

(3E,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-7,8,14,18-Tetrahydroxy-19-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxotetrahydro-2H-pyran-2-yl]-5,9,11,13,15-pentamethyl-1,3,11,16-nonadecatetraen-6-yl carba mate (non-preferred name)

  • Molecular FormulaC32H53NO9
  • Average mass595.765 Da
  • Monoisotopic mass595.372009 Da
  • ChemSpider ID98643215

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3E,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-7,8,14,18-Tetrahydroxy-19-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxotetrahydro-2H-pyran-2-yl]-5,9,11,13,15-pentamethyl-1,3,11,16-nonadecatetraen-6-yl carba mate (non-preferred name) [ACD/IUPAC Name]
(3E,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-7,8,14,18-Tetrahydroxy-19-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxotetrahydro-2H-pyran-2-yl]-5,9,11,13,15-pentamethyl-1,3,11,16-nonadecatetraen-6-ylcarbam at (non-preferred name) [German] [ACD/IUPAC Name]
Carbamate de (3E,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-7,8,14,18-tétrahydroxy-19-[(2S,3R,4S,5R)-4-hydroxy-3,5-diméthyl-6-oxotétrahydro-2H-pyran-2-yl]-5,9,11,13,15-pentaméthyl-1,3,11,16-nonadécatétra én-6-yle (non-preferred name) [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: 804.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.2±6.0 kJ/mol
Flash Point: 440.3±34.3 °C
Index of Refraction: 1.532
Molar Refractivity: 162.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 64.67
ACD/KOC (pH 5.5): 688.19
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 64.67
ACD/KOC (pH 7.4): 688.19
Polar Surface Area: 180 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 524.5±3.0 cm3

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