ChemSpider 2D Image | (3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z)-19-(3,5-Dihydroxyphenyl)-8,14-dihydroxy-5,7,9,11,13,15-hexamethyl-1,3,11,16-nonadecatetraen-6-yl carbamate | C32H49NO6

(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z)-19-(3,5-Dihydroxyphenyl)-8,14-dihydroxy-5,7,9,11,13,15-hexamethyl-1,3,11,16-nonadecatetraen-6-yl carbamate

  • Molecular FormulaC32H49NO6
  • Average mass543.735 Da
  • Monoisotopic mass543.356018 Da
  • ChemSpider ID8406215

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 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)-19-(3,5-Dihydroxyphenyl)-8,14-dihydroxy-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)-19-(3,5-Dihydroxyphenyl)-8,14-dihydroxy-5,7,9,11,13,15-hexamethyl-1,3,11,16-nonadecatetraen-6-ylcarbamat [German] [ACD/IUPAC Name]
(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z)-19-(3,5-dihydroxyphenyl)-8,14-dihydroxy-5,7,9,11,13,15-hexamethylnonadeca-1,3,11,16-tetraen-6-yl carbamate
1,3,11,16-Nonadecatetraene-6,8,14-triol, 19-(3,5-dihydroxyphenyl)-5,7,9,11,13,15-hexamethyl-, 6-carbamate, (3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z)- [ACD/Index Name]
Carbamate de (3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z)-19-(3,5-dihydroxyphényl)-8,14-dihydroxy-5,7,9,11,13,15-hexaméthyl-1,3,11,16-nonadécatétraén-6-yle [French] [ACD/IUPAC Name]
5-((3Z,7Z)-(R)-5,9-Dimethyl-deca-3,7-dienyl)-benzene-1,3-diol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 722.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 390.7±32.9 °C
Index of Refraction: 1.552
Molar Refractivity: 158.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 6.04
ACD/LogD (pH 5.5): 5.90
ACD/BCF (pH 5.5): 17892.76
ACD/KOC (pH 5.5): 38515.98
ACD/LogD (pH 7.4): 5.89
ACD/BCF (pH 7.4): 17751.66
ACD/KOC (pH 7.4): 38212.23
Polar Surface Area: 133 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 496.2±3.0 cm3

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