ChemSpider 2D Image | (6R,7R,8S,16R)-6,28-Dihydroxy-16-methoxy-5,7-dimethyl-18,24-dioxo-22-thia-19,25-diazatricyclo[18.7.1.0~21,26~]octacosa-1(28),4,10,12,14,20,26-heptaen-8-yl N-(cyclohexylcarbonyl)-D-alaninate | C38H51N3O8S

(6R,7R,8S,16R)-6,28-Dihydroxy-16-methoxy-5,7-dimethyl-18,24-dioxo-22-thia-19,25-diazatricyclo[18.7.1.021,26]octacosa-1(28),4,10,12,14,20,26-heptaen-8-yl N-(cyclohexylcarbonyl)-D-alaninate

  • Molecular FormulaC38H51N3O8S
  • Average mass709.892 Da
  • Monoisotopic mass709.339661 Da
  • ChemSpider ID7986149

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(6R,7R,8S,16R)-6,28-Dihydroxy-16-methoxy-5,7-dimethyl-18,24-dioxo-22-thia-19,25-diazatricyclo[18.7.1.021,26]octacosa-1(28),4,10,12,14,20,26-heptaen-8-yl N-(cyclohexylcarbonyl)-D-alaninate [ACD/IUPAC Name]
(6R,7R,8S,16R)-6,28-Dihydroxy-16-methoxy-5,7-dimethyl-18,24-dioxo-22-thia-19,25-diazatricyclo[18.7.1.021,26]octacosa-1(28),4,10,12,14,20,26-heptaen-8-yl-N-(cyclohexylcarbonyl)-D-alaninat [German] [ACD/IUPAC Name]
D-Alanine, N-(cyclohexylcarbonyl)-, (9R,17S,18R,19R)-2,3,6,7,8,9,16,17,18,19,22,23-dodecahydro-19,26-dihydroxy-9-methoxy-18,20-dimethyl-2,7-dioxo-1H-24,5-metheno[1,4]thiazino[2,3-c]azacyclotricosin-17 -yl ester [ACD/Index Name]
N-(Cyclohexylcarbonyl)-D-alaninate de (6R,7R,8S,16R)-6,28-dihydroxy-16-méthoxy-5,7-diméthyl-18,24-dioxo-22-thia-19,25-diazatricyclo[18.7.1.021,26]octacosa-1(28),4,10,12,14,20,26-heptaén-8-yle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 880.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.0±3.0 kJ/mol
Flash Point: 486.2±34.3 °C
Index of Refraction: 1.613
Molar Refractivity: 194.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 4.68
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 189 Å2
Polarizability: 76.9±0.5 10-24cm3
Surface Tension: 60.9±5.0 dyne/cm
Molar Volume: 557.5±5.0 cm3

Click to predict properties on the Chemicalize site


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