ChemSpider 2D Image | Bouvardin | C40H48N6O10

Bouvardin

  • Molecular FormulaC40H48N6O10
  • Average mass772.843 Da
  • Monoisotopic mass772.343201 Da
  • ChemSpider ID9989364

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,4R,7S,10S,13S,16S,17S)-17,24-Dihydroxy-10-(4-methoxybenzyl)-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23(31),24,26,32-hexaen-2, 5,8,11,14,30-hexon [German] [ACD/IUPAC Name]
(1S,4R,7S,10S,13S,16S,17S)-17,24-Dihydroxy-10-(4-methoxybenzyl)-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23(31),24,26,32-hexaene-2 ,5,8,11,14,30-hexone [ACD/IUPAC Name]
(1S,4R,7S,10S,13S,16S,17S)-17,24-Dihydroxy-10-(4-méthoxybenzyl)-4,7,9,13,15,29-hexaméthyl-22-oxa-3,6,9,12,15,29-hexaazatétracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23(31),24,26,32-hexaène-2 ,5,8,11,14,30-hexone [French] [ACD/IUPAC Name]
22-Oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone, 17,24-dihydroxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexameth yl-, (1S,4R,7S,10S,13S,16S,17S)- [ACD/Index Name]
64755-14-2 [RN]
Bouvardin

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

22AY1D3UAX [DBID]
UNII:22AY1D3UAX [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1121.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 172.9±3.0 kJ/mol
Flash Point: 631.9±34.3 °C
Index of Refraction: 1.553
Molar Refractivity: 202.5±0.3 cm3
#H bond acceptors: 16
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: -0.25
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.50
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.94
Polar Surface Area: 207 Å2
Polarizability: 80.3±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 633.1±3.0 cm3

Click to predict properties on the Chemicalize site


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