Found 16 results

Search term: MF = 'C_{37}H_{49}N_{7}O_{8}'
ChemSpider 2D Image | (16S,19R)-16-[(1R)-1-Hydroxyethyl]-9-{[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]carbonyl}-19-isobutyl-2-oxa-5,9,14,17,20-pentaazabicyclo[21.3.1]heptacosa-1(27),23,25-triene-4,15,18,21-tetrone | C37H49N7O8

(16S,19R)-16-[(1R)-1-Hydroxyethyl]-9-{[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]carbonyl}-19-isobutyl-2-oxa-5,9,14,17,20-pentaazabicyclo[21.3.1]heptacosa-1(27),23,25-triene-4,15,18,21-tetrone

  • Molecular FormulaC37H49N7O8
  • Average mass719.827 Da
  • Monoisotopic mass719.364258 Da
  • ChemSpider ID62731803

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(16S,19R)-16-[(1R)-1-Hydroxyethyl]-9-{[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]carbonyl}-19-isobutyl-2-oxa-5,9,14,17,20-pentaazabicyclo[21.3.1]heptacosa-1(27),23,25-trien-4,15,18,21-tetron [German] [ACD/IUPAC Name]
(16S,19R)-16-[(1R)-1-Hydroxyethyl]-9-{[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]carbonyl}-19-isobutyl-2-oxa-5,9,14,17,20-pentaazabicyclo[21.3.1]heptacosa-1(27),23,25-triene-4,15,18,21-tetrone [ACD/IUPAC Name]
(16S,19R)-16-[(1R)-1-Hydroxyéthyl]-9-{[3-(2-hydroxyphényl)-1H-pyrazol-5-yl]carbonyl}-19-isobutyl-2-oxa-5,9,14,17,20-pentaazabicyclo[21.3.1]heptacosa-1(27),23,25-triène-4,15,18,21-tétrone [French] [ACD/IUPAC Name]
2-Oxa-5,9,14,17,20-pentaazabicyclo[21.3.1]heptacosa-1(27),23,25-triene-4,15,18,21-tetrone, 16-[(1R)-1-hydroxyethyl]-9-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]carbonyl]-19-(2-methylpropyl)-, (16S,19R)- [ACD/Index 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: 1130.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 174.5±3.0 kJ/mol
Flash Point: 637.7±34.3 °C
Index of Refraction: 1.542
Molar Refractivity: 190.8±0.3 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: -2.13
ACD/LogD (pH 5.5): -0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.60
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.16
Polar Surface Area: 215 Å2
Polarizability: 75.6±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 606.4±3.0 cm3

Click to predict properties on the Chemicalize site


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