ChemSpider 2D Image | (2R,6S,9S,15S)-9-Benzyl-15-(hydroxymethyl)-13-(3-methylbutyl)-4-[(2S)-tetrahydro-2-furanylcarbonyl]-19-oxa-4,7,10,13,16-pentaazatricyclo[18.3.1.0~2,6~]tetracosa-1(24),20,22-triene-8,11,14,17-tetrone | C36H47N5O8

(2R,6S,9S,15S)-9-Benzyl-15-(hydroxymethyl)-13-(3-methylbutyl)-4-[(2S)-tetrahydro-2-furanylcarbonyl]-19-oxa-4,7,10,13,16-pentaazatricyclo[18.3.1.02,6]tetracosa-1(24),20,22-triene-8,11,14,17-tetrone

  • Molecular FormulaC36H47N5O8
  • Average mass677.787 Da
  • Monoisotopic mass677.342468 Da
  • ChemSpider ID71342416

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,6S,9S,15S)-9-Benzyl-15-(hydroxymethyl)-13-(3-methylbutyl)-4-[(2S)-tetrahydro-2-furanylcarbonyl]-19-oxa-4,7,10,13,16-pentaazatricyclo[18.3.1.02,6]tetracosa-1(24),20,22-trien-8,11,14,17-tetron [German] [ACD/IUPAC Name]
(2R,6S,9S,15S)-9-Benzyl-15-(hydroxymethyl)-13-(3-methylbutyl)-4-[(2S)-tetrahydro-2-furanylcarbonyl]-19-oxa-4,7,10,13,16-pentaazatricyclo[18.3.1.02,6]tetracosa-1(24),20,22-triene-8,11,14,17-tetrone [ACD/IUPAC Name]
(2R,6S,9S,15S)-9-Benzyl-15-(hydroxyméthyl)-13-(3-méthylbutyl)-4-[(2S)-tétrahydro-2-furanylcarbonyl]-19-oxa-4,7,10,13,16-pentaazatricyclo[18.3.1.02,6]tétracosa-1(24),20,22-triène-8,11,14,17-tétrone [French] [ACD/IUPAC Name]
2H-14,18-Methenopyrrolo[3,4-n][1,4,7,10,13]oxatetraazacycloeicosine-2,5,8,11(12H)-tetrone, 1,3,4,6,7,9,10,18a,19,20,21,21a-dodecahydro-9-(hydroxymethyl)-7-(3-methylbutyl)-3-(phenylmethyl)-20-[[(2S)-te trahydro-2-furanyl]carbonyl]-, (3S,9S,18aR,21aS)- [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: 1025.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 157.0±3.0 kJ/mol
Flash Point: 574.2±34.3 °C
Index of Refraction: 1.545
Molar Refractivity: 178.5±0.3 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.64
ACD/LogD (pH 5.5): 0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.69
ACD/LogD (pH 7.4): 0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.69
Polar Surface Area: 167 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 564.3±3.0 cm3

Click to predict properties on the Chemicalize site


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