ChemSpider 2D Image | (7R,11S,14S,17S)-14-[(1R)-1-Hydroxyethyl]-11,25,25-trimethyl-10-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-17-[2-(methylsulfanyl)ethyl]-1,10,13,16,19,22,23-heptaazatricyclo[19.2.1.1~4,7~]pentacosa-4,21(24), 22-triene-12,15,18-trione | C31H46N8O6S

(7R,11S,14S,17S)-14-[(1R)-1-Hydroxyethyl]-11,25,25-trimethyl-10-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-17-[2-(methylsulfanyl)ethyl]-1,10,13,16,19,22,23-heptaazatricyclo[19.2.1.14,7]pentacosa-4,21(24), 22-triene-12,15,18-trione

  • Molecular FormulaC31H46N8O6S
  • Average mass658.812 Da
  • Monoisotopic mass658.326111 Da
  • ChemSpider ID71343159

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(7R,11S,14S,17S)-14-[(1R)-1-Hydroxyethyl]-11,25,25-trimethyl-10-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-17-[2-(methylsulfanyl)ethyl]-1,10,13,16,19,22,23-heptaazatricyclo[19.2.1.14,7]pentacosa-4,21(24), 22-trien-12,15,18-trion [German] [ACD/IUPAC Name]
(7R,11S,14S,17S)-14-[(1R)-1-Hydroxyethyl]-11,25,25-trimethyl-10-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-17-[2-(methylsulfanyl)ethyl]-1,10,13,16,19,22,23-heptaazatricyclo[19.2.1.14,7]pentacosa-4,21(24), 22-triene-12,15,18-trione [ACD/IUPAC Name]
(7R,11S,14S,17S)-14-[(1R)-1-Hydroxyéthyl]-11,25,25-triméthyl-10-[(5-méthyl-1,2-oxazol-3-yl)carbonyl]-17-[2-(méthylsulfanyl)éthyl]-1,10,13,16,19,22,23-heptaazatricyclo[19.2.1.14,7]pentacosa-4,21(24), 22-triène-12,15,18-trione [French] [ACD/IUPAC Name]
1,10,13,16,19,22,23-Heptaazatricyclo[19.2.1.14,7]pentacosa-4,21(24),22-triene-12,15,18-trione, 14-[(1R)-1-hydroxyethyl]-11,25,25-trimethyl-10-[(5-methyl-3-isoxazolyl)carbonyl]-17-[2-(methylthio)ethy l]-, (7R,11S,14S,17S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.657
Molar Refractivity: 174.3±0.5 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.98
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.52
ACD/LogD (pH 7.4): -0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.52
Polar Surface Area: 210 Å2
Polarizability: 69.1±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 473.8±7.0 cm3

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