ChemSpider 2D Image | (6R,12S,15S,18S)-6-Isopropyl-15-methyl-4,7,13,16-tetraoxo-2-oxa-5,8,14,17-tetraazatricyclo[18.2.2.0~8,12~]tetracosa-1(22),20,23-triene-18-carboxylic acid | C24H32N4O7

(6R,12S,15S,18S)-6-Isopropyl-15-methyl-4,7,13,16-tetraoxo-2-oxa-5,8,14,17-tetraazatricyclo[18.2.2.08,12]tetracosa-1(22),20,23-triene-18-carboxylic acid

  • Molecular FormulaC24H32N4O7
  • Average mass488.534 Da
  • Monoisotopic mass488.227112 Da
  • ChemSpider ID62721436

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(6R,12S,15S,18S)-6-Isopropyl-15-methyl-4,7,13,16-tetraoxo-2-oxa-5,8,14,17-tetraazatricyclo[18.2.2.08,12]tetracosa-1(22),20,23-trien-18-carbonsäure [German] [ACD/IUPAC Name]
(6R,12S,15S,18S)-6-Isopropyl-15-methyl-4,7,13,16-tetraoxo-2-oxa-5,8,14,17-tetraazatricyclo[18.2.2.08,12]tetracosa-1(22),20,23-triene-18-carboxylic acid [ACD/IUPAC Name]
8,11-Etheno-1H,13H-pyrrolo[1,2-g][1,4,7,10,13]oxatetraazacyclononadecine-6-carboxylic acid, 2,3,4,5,6,7,14,15,16,17,19,20,21,21a-tetradecahydro-3-methyl-16-(1-methylethyl)-1,4,14,17-tetraoxo-, (3S,6S, 16R,21aS)- [ACD/Index Name]
Acide (6R,12S,15S,18S)-6-isopropyl-15-méthyl-4,7,13,16-tétraoxo-2-oxa-5,8,14,17-tétraazatricyclo[18.2.2.08,12]tétracosa-1(22),20,23-triène-18-carboxylique [French] [ACD/IUPAC Name]
(3S,6S,16R,21aS)-16-isopropyl-3-methyl-1,4,14,17-tetraoxo-2,3,4,5,6,7,14,15,16,17,19,20,21,21a-tetradecahydro-1H,13H-8,11-ethenopyrrolo[1,2-g][1,4,7,10,13]oxatetraazacyclononadecine-6-carboxylic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 900.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.2±3.0 kJ/mol
Flash Point: 498.5±34.3 °C
Index of Refraction: 1.597
Molar Refractivity: 124.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -1.83
ACD/LogD (pH 5.5): -3.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 62.6±5.0 dyne/cm
Molar Volume: 365.5±5.0 cm3

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