Found 6 results

Search term: MF = 'C_{32}H_{59}N_{3}O_{8}'
ChemSpider 2D Image | (3S,6S,9S,12R,13R)-6-[(1S)-1-Hydroxyethyl]-13-[(2S,3R)-3-hydroxy-2-hexadecanyl]-3-(hydroxymethyl)-9-isopropyl-12-methyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone | C32H59N3O8

(3S,6S,9S,12R,13R)-6-[(1S)-1-Hydroxyethyl]-13-[(2S,3R)-3-hydroxy-2-hexadecanyl]-3-(hydroxymethyl)-9-isopropyl-12-methyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone

  • Molecular FormulaC32H59N3O8
  • Average mass613.826 Da
  • Monoisotopic mass613.430237 Da
  • ChemSpider ID9562839

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3S,6S,9S,12R,13R)-6-[(1S)-1-Hydroxyethyl]-13-[(2S,3R)-3-hydroxy-2-hexadecanyl]-3-(hydroxymethyl)-9-isopropyl-12-methyl-1-oxa-4,7,10-triazacyclotridecan-2,5,8,11-tetron [German] [ACD/IUPAC Name]
(3S,6S,9S,12R,13R)-6-[(1S)-1-Hydroxyethyl]-13-[(2S,3R)-3-hydroxy-2-hexadecanyl]-3-(hydroxymethyl)-9-isopropyl-12-methyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone [ACD/IUPAC Name]
(3S,6S,9S,12R,13R)-6-[(1S)-1-Hydroxyéthyl]-13-[(2S,3R)-3-hydroxy-2-hexadécanyl]-3-(hydroxyméthyl)-9-isopropyl-12-méthyl-1-oxa-4,7,10-triazacyclotridécane-2,5,8,11-tétrone [French] [ACD/IUPAC Name]
1-Oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone, 6-[(1S)-1-hydroxyethyl]-3-(hydroxymethyl)-13-[(1S,2R)-2-hydroxy-1-methylpentadecyl]-12-methyl-9-(1-methylethyl)-, (3S,6S,9S,12R,13R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 876.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.7±6.0 kJ/mol
Flash Point: 483.6±34.3 °C
Index of Refraction: 1.476
Molar Refractivity: 164.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 233.35
ACD/KOC (pH 5.5): 1723.24
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 233.34
ACD/KOC (pH 7.4): 1723.18
Polar Surface Area: 174 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 584.1±3.0 cm3

Click to predict properties on the Chemicalize site


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