Found 8 results

Search term: MF = 'C_{34}H_{61}N_{5}O_{9}'
ChemSpider 2D Image | (3S,6R,9S,12S,15R)-3-[(2R)-2-Butanyl]-18-heptyl-9-[(1S)-1-hydroxyethyl]-12-(hydroxymethyl)-6,15-diisobutyl-1-oxa-4,7,10,13,16-pentaazacyclooctadecane-2,5,8,11,14,17-hexone | C34H61N5O9

(3S,6R,9S,12S,15R)-3-[(2R)-2-Butanyl]-18-heptyl-9-[(1S)-1-hydroxyethyl]-12-(hydroxymethyl)-6,15-diisobutyl-1-oxa-4,7,10,13,16-pentaazacyclooctadecane-2,5,8,11,14,17-hexone

  • Molecular FormulaC34H61N5O9
  • Average mass683.876 Da
  • Monoisotopic mass683.446899 Da
  • ChemSpider ID8570266

  • defined stereocentres - 5 of 8 defined stereocentres

More details:

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

(3S,6R,9S,12S,15R)-3-[(2R)-2-Butanyl]-18-heptyl-9-[(1S)-1-hydroxyethyl]-12-(hydroxymethyl)-6,15-diisobutyl-1-oxa-4,7,10,13,16-pentaazacyclooctadecan-2,5,8,11,14,17-hexon [German] [ACD/IUPAC Name]
(3S,6R,9S,12S,15R)-3-[(2R)-2-Butanyl]-18-heptyl-9-[(1S)-1-hydroxyethyl]-12-(hydroxymethyl)-6,15-diisobutyl-1-oxa-4,7,10,13,16-pentaazacyclooctadecane-2,5,8,11,14,17-hexone [ACD/IUPAC Name]
(3S,6R,9S,12S,15R)-3-[(2R)-2-Butanyl]-18-heptyl-9-[(1S)-1-hydroxyéthyl]-12-(hydroxyméthyl)-6,15-diisobutyl-1-oxa-4,7,10,13,16-pentaazacyclooctadécane-2,5,8,11,14,17-hexone [French] [ACD/IUPAC Name]
1-Oxa-4,7,10,13,16-pentaazacyclooctadecane-2,5,8,11,14,17-hexone, 18-heptyl-9-[(1S)-1-hydroxyethyl]-12-(hydroxymethyl)-3-[(1R)-1-methylpropyl]-6,15-bis(2-methylpropyl)-, (3S,6R,9S,12S,15R)- [ACD/Index 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: 1012.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 167.4±6.0 kJ/mol
Flash Point: 566.1±34.3 °C
Index of Refraction: 1.463
Molar Refractivity: 179.6±0.3 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 15.80
ACD/KOC (pH 5.5): 250.75
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.80
ACD/KOC (pH 7.4): 250.74
Polar Surface Area: 212 Å2
Polarizability: 71.2±0.5 10-24cm3
Surface Tension: 33.6±3.0 dyne/cm
Molar Volume: 651.8±3.0 cm3

Click to predict properties on the Chemicalize site


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