ChemSpider 2D Image | (7Z,9S,10S,11S,12Z,14S,16Z,20S,21R,22Z,24Z)-4,10,14,20,34-Pentahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.0~5,33~]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30(34)-decaene-6,18,28,31,32-pe ntone | C39H45NO10

(7Z,9S,10S,11S,12Z,14S,16Z,20S,21R,22Z,24Z)-4,10,14,20,34-Pentahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30(34)-decaene-6,18,28,31,32-pe ntone

  • Molecular FormulaC39H45NO10
  • Average mass687.775 Da
  • Monoisotopic mass687.304321 Da
  • ChemSpider ID129160519

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(7Z,9S,10S,11S,12Z,14S,16Z,20S,21R,22Z,24Z)-4,10,14,20,34-Pentahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30(34)-decaen-6,18,28,31,32-pen ton [German] [ACD/IUPAC Name]
(7Z,9S,10S,11S,12Z,14S,16Z,20S,21R,22Z,24Z)-4,10,14,20,34-Pentahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30(34)-decaene-6,18,28,31,32-pe ntone [ACD/IUPAC Name]
(7Z,9S,10S,11S,12Z,14S,16Z,20S,21R,22Z,24Z)-4,10,14,20,34-Pentahydroxy-3,7,9,11,17,21-hexaméthyl-29-azatricyclo[28.3.1.05,33]tétratriaconta-1(33),2,4,7,12,16,22,24,26,30(34)-décaène-6,18,28,31,32-pe ntone [French] [ACD/IUPAC Name]
31,3-Metheno-3H-4-benzazacyclononacosine-1,2,5,15,27(4H,12H,18H)-pentone, 13,14,19,22,23,24-hexahydro-13,19,23,28,32-pentahydroxy-12,16,22,24,26,29-hexamethyl-, (8Z,10Z,12R,13S,16Z,19S,20Z,22S,23S,24S ,25Z)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 983.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.2±3.0 kJ/mol
Flash Point: 548.6±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 185.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 3
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 1.88
ACD/KOC (pH 5.5): 20.86
ACD/LogD (pH 7.4): -1.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 199 Å2
Polarizability: 73.6±0.5 10-24cm3
Surface Tension: 66.5±5.0 dyne/cm
Molar Volume: 519.9±5.0 cm3

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