ChemSpider 2D Image | (12R,15S)-15-[(1R)-1-Hydroxyethyl]-12-isopropyl-7,29-dimethoxy-19-(3-methylbutanoyl)-2-oxa-10,13,16,19,24-pentaazatricyclo[24.3.1.0~3,8~]triaconta-1(30),3,5,7,26,28-hexaene-11,14,17,25-tetrone | C36H51N5O9

(12R,15S)-15-[(1R)-1-Hydroxyethyl]-12-isopropyl-7,29-dimethoxy-19-(3-methylbutanoyl)-2-oxa-10,13,16,19,24-pentaazatricyclo[24.3.1.03,8]triaconta-1(30),3,5,7,26,28-hexaene-11,14,17,25-tetrone

  • Molecular FormulaC36H51N5O9
  • Average mass697.818 Da
  • Monoisotopic mass697.368652 Da
  • ChemSpider ID81385070

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(12R,15S)-15-[(1R)-1-Hydroxyethyl]-12-isopropyl-7,29-dimethoxy-19-(3-methylbutanoyl)-2-oxa-10,13,16,19,24-pentaazatricyclo[24.3.1.03,8]triaconta-1(30),3,5,7,26,28-hexaen-11,14,17,25-tetron [German] [ACD/IUPAC Name]
(12R,15S)-15-[(1R)-1-Hydroxyethyl]-12-isopropyl-7,29-dimethoxy-19-(3-methylbutanoyl)-2-oxa-10,13,16,19,24-pentaazatricyclo[24.3.1.03,8]triaconta-1(30),3,5,7,26,28-hexaene-11,14,17,25-tetrone [ACD/IUPAC Name]
(12R,15S)-15-[(1R)-1-Hydroxyéthyl]-12-isopropyl-7,29-diméthoxy-19-(3-méthylbutanoyl)-2-oxa-10,13,16,19,24-pentaazatricyclo[24.3.1.03,8]triaconta-1(30),3,5,7,26,28-hexaène-11,14,17,25-tétrone [French] [ACD/IUPAC Name]
7H-2,6-Metheno-1,8,13,16,19,22-benzoxapentaazacyclopentacosine-7,15,18,21(8H)-tetrone, 9,10,11,12,13,14,16,17,19,20,22,23-dodecahydro-17-[(1R)-1-hydroxyethyl]-3,24-dimethoxy-20-(1-methylethyl)-13-(3-m ethyl-1-oxobutyl)-, (17S,20R)- [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: 1034.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 158.5±3.0 kJ/mol
Flash Point: 579.7±34.3 °C
Index of Refraction: 1.511
Molar Refractivity: 184.7±0.3 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.83
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.83
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.83
Polar Surface Area: 185 Å2
Polarizability: 73.2±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 616.5±3.0 cm3

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