Found 7 results

Search term: MF = 'C_{50}H_{80}N_{8}O_{12}'
ChemSpider 2D Image | (2S,8S,14S,17S,20S,25S,28R,29S)-2-[(2S)-2-Butanyl]-28-ethyl-8-isobutyl-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 | C50H80N8O12

(2S,8S,14S,17S,20S,25S,28R,29S)-2-[(2S)-2-Butanyl]-28-ethyl-8-isobutyl-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

  • Molecular FormulaC50H80N8O12
  • Average mass985.217 Da
  • Monoisotopic mass984.589600 Da
  • ChemSpider ID314588

  • defined stereocentres - 9 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)-2-[(2S)-2-Butanyl]-28-ethyl-8-isobutyl-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-3,6,9,12,1 5,18,21,23,26,30-decon [German] [ACD/IUPAC Name]
(2S,8S,14S,17S,20S,25S,28R,29S)-2-[(2S)-2-Butanyl]-28-ethyl-8-isobutyl-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,28R,29S)-2-[(2S)-2-Butanyl]-28-éthyl-8-isobutyl-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-[(1S)-1-methylpropyl ]-8-(2-methylpropyl)-, (2S,8S,14S,17S,20S,25S,28R,29S)- [ACD/Index Name]
(2S,8S,14S,17S,20S,25S,28R,29S)-2-[(2S)-butan-2-yl]-28-ethyl-17-(4-methoxybenzyl)-7,13,16,20,22,22,25,29-octamethyl-8-(2-methylpropyl)-14-(propan-2-yl)-1-oxa-4,7,10,13,16,19,24,27-octaazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-decone
(2S,8S,14S,17S,20S,25S,28R,29S)-2-[(2S)-butan-2-yl]-28-ethyl-17-[(4-methoxyphenyl)methyl]-7,13,16,20,22,22,25,29-octamethyl-8-(2-methylpropyl)-14-(propan-2-yl)-1-oxa-4,7,10,13,16,19,24,27-octaazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-decone
111517-68-1 [RN]
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-[(1S)-1-methylpropyl]-8-(2-methylpropyl)-, (2S,8S,14S,17S,20S,25S,28R,29S)-
B720389K031
Cyclo[L-alanyl-(2S,3R)-3-amino-2-methylpentanoyl-(2S,3S)-2-hydroxy-3-methylpentanoylglycyl-N-methyl-L-leucylglycyl-N-methyl-L-valyl-N,O-dimethyl-L-tyrosyl-(4S)-4-amino-2,2-dimethyl-3-oxopentanoyl]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NCI60_004658 [DBID]
NSC606195 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 1217.8±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: 690.3±34.3 °C
Index of Refraction: 1.472
Molar Refractivity: 260.9±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: 32.4±3.0 dyne/cm
Molar Volume: 931.5±3.0 cm3

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