ChemSpider 2D Image | CSID:13102437 | C40H48N6O10

  • Molecular FormulaC40H48N6O10
  • Average mass772.843 Da
  • Monoisotopic mass772.343201 Da
  • ChemSpider ID13102437

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,4S,7R,10S,13R,16S,17S)-17-Hydroxy-24-methoxy-10-(4-methoxybenzyl)-4,7,13,15,29-pentamethyl-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23(31),24,26,32-hexa en-2,5,8,11,14,30-hexon [German] [ACD/IUPAC Name]
(1S,4S,7R,10S,13R,16S,17S)-17-Hydroxy-24-méthoxy-10-(4-méthoxybenzyl)-4,7,13,15,29-pentaméthyl-22-oxa-3,6,9,12,15,29-hexaazatétracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23(31),24,26,32-hexa ène-2,5,8,11,14,30-hexone [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1141.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 176.3±3.0 kJ/mol
Flash Point: 644.0±34.3 °C
Index of Refraction: 1.541
Molar Refractivity: 202.4±0.3 cm3
#H bond acceptors: 16
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: -0.27
ACD/LogD (pH 5.5): 0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.82
ACD/LogD (pH 7.4): 0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.82
Polar Surface Area: 205 Å2
Polarizability: 80.2±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 643.7±3.0 cm3

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