ChemSpider 2D Image | (7Z,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z)-4,10,14,20,31-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-decaene-6,18,28,32,34-penton e | C39H45NO10

(7Z,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z)-4,10,14,20,31-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-decaene-6,18,28,32,34-penton e

  • Molecular FormulaC39H45NO10
  • Average mass687.775 Da
  • Monoisotopic mass687.304321 Da
  • ChemSpider ID107445754

  • 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,12E,14S,16E,20S,21S,22E,24Z)-4,10,14,20,31-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-decaen-6,18,28,32,34-penton [German] [ACD/IUPAC Name]
(7Z,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z)-4,10,14,20,31-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-decaene-6,18,28,32,34-penton e [ACD/IUPAC Name]
(7Z,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z)-4,10,14,20,31-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-décaène-6,18,28,32,34-penton e [French] [ACD/IUPAC Name]
3,31-Methano-1H-4-benzazacyclononacosine-1,5,15,27,32(4H,12H,18H)-pentone, 13,14,19,22,23,24-hexahydro-2,13,19,23,28-pentahydroxy-12,16,22,24,26,29-hexamethyl-, (8Z,10E,12S,13S,16E,19S,20E,22S,23S,24S ,25Z)- [ACD/Index Name]
102281-52-7 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 988.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.9±3.0 kJ/mol
Flash Point: 551.5±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: 3.57
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 1.82
ACD/KOC (pH 5.5): 16.84
ACD/LogD (pH 7.4): -1.42
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

Click to predict properties on the Chemicalize site


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