Found 3 results

Search term: MF = 'C_{60}H_{97}N_{9}O_{14}'
ChemSpider 2D Image | tert-butyl 2-[(3R,6S,9S,15S,18S,21S,24S,27S,30S)-6-[(4-hydroxyphenyl)methyl]-9,24,27-triisopropyl-3,10,16,19,22,28-hexamethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-15,18-disec-butyl-4-oxa-1,7,10,13,16,19,22,25,28-nonazabicyclo[28.4.0]tetratriacontan-21-yl]acetate | C60H97N9O14

tert-butyl 2-[(3R,6S,9S,15S,18S,21S,24S,27S,30S)-6-[(4-hydroxyphenyl)methyl]-9,24,27-triisopropyl-3,10,16,19,22,28-hexamethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-15,18-disec-butyl-4-oxa-1,7,10,13,16,19,22,25,28-nonazabicyclo[28.4.0]tetratriacontan-21-yl]acetate

  • Molecular FormulaC60H97N9O14
  • Average mass1168.464 Da
  • Monoisotopic mass1167.715454 Da
  • ChemSpider ID8187118

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

[(3S,6S,9S,12S,15S,21S,24S,27R,33aS)-12,15-Di[(2S)-2-butanyl]-24-(4-hydroxybenzyl)-3,6,21-triisopropyl-2,8,11,14,20,27-hexaméthyl-1,4,7,10,13,16,19,22,25,28-décaoxodotriacontahydropyrido[1,2-d][1,4,7, 10,13,16,19,22,25,28]oxanonaazacyclotriacontin-9-yl]acétate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(3S,6S,9S,12S,15S,21S,24S,27R,33aS)-12,15-di[(2S)-2-butanyl]-24-(4-hydroxybenzyl)-3,6,21-triisopropyl-2,8,11,14,20,27-hexamethyl-1,4,7,10,13,16,19,22,25,28-decaoxodotriacontahydro pyrido[1,2-d][1,4,7,10,13,16,19,22,25,28]oxanonaazacyclotriacontin-9-yl]acetat [German] [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: 1274.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 197.3±3.0 kJ/mol
Flash Point: 724.3±34.3 °C
Index of Refraction: 1.563
Molar Refractivity: 312.9±0.4 cm3
#H bond acceptors: 23
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.65
ACD/KOC (pH 5.5): 201.62
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 11.61
ACD/KOC (pH 7.4): 200.96
Polar Surface Area: 282 Å2
Polarizability: 124.1±0.5 10-24cm3
Surface Tension: 55.7±5.0 dyne/cm
Molar Volume: 963.2±5.0 cm3

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