ChemSpider 2D Image | (3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z)-8,14-Dihydroxy-5,7,9,11,13,15-hexamethyl-19-(3-thienyl)-1,3,11,16-nonadecatetraen-6-yl carbamate | C30H47NO4S

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

  • Molecular FormulaC30H47NO4S
  • Average mass517.763 Da
  • Monoisotopic mass517.322571 Da
  • ChemSpider ID23167275

  • 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)-8,14-Dihydroxy-5,7,9,11,13,15-hexamethyl-19-(3-thienyl)-1,3,11,16-nonadecatetraen-6-yl carbamate [ACD/IUPAC Name]
(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z)-8,14-Dihydroxy-5,7,9,11,13,15-hexamethyl-19-(3-thienyl)-1,3,11,16-nonadecatetraen-6-ylcarbamat [German] [ACD/IUPAC Name]
(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z)-8,14-dihydroxy-5,7,9,11,13,15-hexamethyl-19-(thiophen-3-yl)nonadeca-1,3,11,16-tetraen-6-yl carbamate
1,3,11,16-Nonadecatetraene-6,8,14-triol, 5,7,9,11,13,15-hexamethyl-19-(3-thienyl)-, 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)-8,14-dihydroxy-5,7,9,11,13,15-hexaméthyl-19-(3-thiényl)-1,3,11,16-nonadécatétraén-6-yle [French] [ACD/IUPAC Name]
Carbamic acid (1S,2S,5S,10S)-9-(S)-hydroxy-3-(R)-hydroxy-10-(S)-methyl-2,4,6,8-tetramethyl-1-((Z)-(S)-1-methyl-penta-2,4-dienyl)-14-thiophen-3-yl-tetradeca-6,11-dienyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 661.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 354.0±31.5 °C
Index of Refraction: 1.539
Molar Refractivity: 153.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 7.18
ACD/LogD (pH 5.5): 6.46
ACD/BCF (pH 5.5): 47817.34
ACD/KOC (pH 5.5): 77844.80
ACD/LogD (pH 7.4): 6.46
ACD/BCF (pH 7.4): 47817.24
ACD/KOC (pH 7.4): 77844.63
Polar Surface Area: 121 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 488.8±3.0 cm3

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