Found 1 result

Search term: 78440287 (Found by CSID)
ChemSpider 2D Image | (2S,8S,14S,17S,20S,25S,28R,29S)-8-[(2S)-2-Butanyl]-28-ethyl-2,14-diisopropyl-17-(4-methoxybenzyl)-7,13,16,20,22,22,25,29-octamethyl-1-oxa-4,7,10,13,16,19,24,27-octaazacyclotriacontane-3,6,9,12,15,18,2 1,23,26,30-decone | C49H78N8O12

(2S,8S,14S,17S,20S,25S,28R,29S)-8-[(2S)-2-Butanyl]-28-ethyl-2,14-diisopropyl-17-(4-methoxybenzyl)-7,13,16,20,22,22,25,29-octamethyl-1-oxa-4,7,10,13,16,19,24,27-octaazacyclotriacontane-3,6,9,12,15,18,2 1,23,26,30-decone

  • Molecular FormulaC49H78N8O12
  • Average mass971.190 Da
  • Monoisotopic mass970.573914 Da
  • ChemSpider ID78440287

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(2S,8S,14S,17S,20S,25S,28R,29S)-8-[(2S)-2-Butanyl]-28-ethyl-2,14-diisopropyl-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 ,23,26,30-decon [German] [ACD/IUPAC Name]
(2S,8S,14S,17S,20S,25S,28R,29S)-8-[(2S)-2-Butanyl]-28-ethyl-2,14-diisopropyl-17-(4-methoxybenzyl)-7,13,16,20,22,22,25,29-octamethyl-1-oxa-4,7,10,13,16,19,24,27-octaazacyclotriacontane-3,6,9,12,15,18,2 1,23,26,30-decone [ACD/IUPAC Name]
(2S,8S,14S,17S,20S,25S,28R,29S)-8-[(2S)-2-Butanyl]-28-éthyl-2,14-diisopropyl-17-(4-méthoxybenzyl)-7,13,16,20,22,22,25,29-octaméthyl-1-oxa-4,7,10,13,16,19,24,27-octaazacyclotriacontane-3,6,9,12,15,18,2 1,23,26,30-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-2,14-bis(1-methylethyl)-8-[(1S)-1-methylp ropyl]-, (2S,8S,14S,17S,20S,25S,28R,29S)- [ACD/Index Name]
57-normajusculamide 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: 1214.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 181.2±3.0 kJ/mol
Flash Point: 688.4±34.3 °C
Index of Refraction: 1.473
Molar Refractivity: 256.2±0.3 cm3
#H bond acceptors: 20
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.22
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.17
ACD/LogD (pH 7.4): -0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.17
Polar Surface Area: 259 Å2
Polarizability: 101.6±0.5 10-24cm3
Surface Tension: 32.7±3.0 dyne/cm
Molar Volume: 912.6±3.0 cm3

Click to predict properties on the Chemicalize site


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