Found 11 results

Search term: MF = 'C_{52}H_{92}N_{8}O_{12}'
ChemSpider 2D Image | [21-(3-Amino-3-oxopropyl)-3-sec-butyl-6,16,18-triisobutyl-12-isopropyl-2,5,8,11,14,17,20,23-octaoxo-25-undecyl-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-9-yl]acetic acid | C52H92N8O12

[21-(3-Amino-3-oxopropyl)-3-sec-butyl-6,16,18-triisobutyl-12-isopropyl-2,5,8,11,14,17,20,23-octaoxo-25-undecyl-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-9-yl]acetic acid

  • Molecular FormulaC52H92N8O12
  • Average mass1021.333 Da
  • Monoisotopic mass1020.683472 Da
  • ChemSpider ID8030402

More details:

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

[21-(3-Amino-3-oxopropyl)-3-sec-butyl-6,16,18-triisobutyl-12-isopropyl-2,5,8,11,14,17,20,23-octaoxo-25-undecyl-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-9-yl]acetic acid [ACD/IUPAC Name]
[21-(3-Amino-3-oxopropyl)-3-sec-butyl-6,16,18-triisobutyl-12-isopropyl-2,5,8,11,14,17,20,23-octaoxo-25-undecyl-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-9-yl]essigsäure [German] [ACD/IUPAC Name]
1-Oxa-4,7,10,13,16,19,22-heptaazacyclopentacosane-9-acetic acid, 21-(3-amino-3-oxopropyl)-12-(1-methylethyl)-3-(1-methylpropyl)-6,16,18-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-25-undecyl- [ACD/Index Name]
Acide [21-(3-amino-3-oxopropyl)-3-sec-butyl-6,16,18-triisobutyl-12-isopropyl-2,5,8,11,14,17,20,23-octaoxo-25-undécyl-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-9-yl]acétique [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 1269.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 205.2±6.0 kJ/mol
Flash Point: 721.7±34.3 °C
Index of Refraction: 1.467
Molar Refractivity: 272.2±0.3 cm3
#H bond acceptors: 20
#H bond donors: 9
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 18.95
ACD/KOC (pH 5.5): 106.55
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.99
Polar Surface Area: 302 Å2
Polarizability: 107.9±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 980.6±3.0 cm3

Click to predict properties on the Chemicalize site


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