ChemSpider 2D Image | majusculamide C | C50H80N8O12

majusculamide C

  • Molecular FormulaC50H80N8O12
  • Average mass985.217 Da
  • Monoisotopic mass984.589600 Da
  • ChemSpider ID10256672

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(2S,8S,14S,17S,20S,25S)-2,8-Di[(2S)-2-butanyl]-28-ethyl-14-isopropyl-17-(4-methoxybenzyl)-7,13,16,20,22,22,25,29-octamethyl-1-oxa-4,7,10,13,16,19,24,27-octaazacyclotriacontan-3,6,9,12,15,18,21,23,26,3 0-decon [German] [ACD/IUPAC Name]
(2S,8S,14S,17S,20S,25S)-2,8-Di[(2S)-2-butanyl]-28-ethyl-14-isopropyl-17-(4-methoxybenzyl)-7,13,16,20,22,22,25,29-octamethyl-1-oxa-4,7,10,13,16,19,24,27-octaazacyclotriacontane-3,6,9,12,15,18,21,23,26, 30-decone [ACD/IUPAC Name]
(2S,8S,14S,17S,20S,25S)-2,8-Di[(2S)-2-butanyl]-28-éthyl-14-isopropyl-17-(4-méthoxybenzyl)-7,13,16,20,22,22,25,29-octaméthyl-1-oxa-4,7,10,13,16,19,24,27-octaazacyclotriacontane-3,6,9,12,15,18,21,23,26, 30-décone [French] [ACD/IUPAC Name]
1-Oxa-4,7,10,13,16,19,24,27-octaazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-decone, 28-ethyl-17-[(4-methoxyphenyl)methyl]-7,13,16,20,22,22,25,29-octamethyl-14-(1-methylethyl)-2,8-bis[(1S)-1-methylp ropyl]-, (2S,8S,14S,17S,20S,25S)- [ACD/Index Name]
majusculamide C

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

Density: 1.1±0.1 g/cm3
Boiling Point: 1217.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 181.7±3.0 kJ/mol
Flash Point: 690.2±34.3 °C
Index of Refraction: 1.473
Molar Refractivity: 260.8±0.3 cm3
#H bond acceptors: 20
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.69
ACD/LogD (pH 5.5): 0.31
ACD/BCF (pH 5.5): 1.01
ACD/KOC (pH 5.5): 34.97
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.01
ACD/KOC (pH 7.4): 34.97
Polar Surface Area: 259 Å2
Polarizability: 103.4±0.5 10-24cm3
Surface Tension: 32.7±3.0 dyne/cm
Molar Volume: 929.1±3.0 cm3

Click to predict properties on the Chemicalize site


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