ChemSpider 2D Image | (3S,6S,10S,11R,12S,13R,17R)-4-(Cyclohexylmethyl)-11,12-dihydroxy-15-(tetrahydro-2H-pyran-4-ylcarbonyl)-18,22-dioxa-1,4,7,15-tetraazatetracyclo[15.3.1.1~3,6~.1~10,13~]tricosane-2,8-dione | C30H48N4O8

(3S,6S,10S,11R,12S,13R,17R)-4-(Cyclohexylmethyl)-11,12-dihydroxy-15-(tetrahydro-2H-pyran-4-ylcarbonyl)-18,22-dioxa-1,4,7,15-tetraazatetracyclo[15.3.1.13,6.110,13]tricosane-2,8-dione

  • Molecular FormulaC30H48N4O8
  • Average mass592.724 Da
  • Monoisotopic mass592.347229 Da
  • ChemSpider ID65261352

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3S,6S,10S,11R,12S,13R,17R)-4-(Cyclohexylmethyl)-11,12-dihydroxy-15-(tetrahydro-2H-pyran-4-ylcarbonyl)-18,22-dioxa-1,4,7,15-tetraazatetracyclo[15.3.1.13,6.110,13]tricosan-2,8-dion [German] [ACD/IUPAC Name]
(3S,6S,10S,11R,12S,13R,17R)-4-(Cyclohexylmethyl)-11,12-dihydroxy-15-(tetrahydro-2H-pyran-4-ylcarbonyl)-18,22-dioxa-1,4,7,15-tetraazatetracyclo[15.3.1.13,6.110,13]tricosane-2,8-dione [ACD/IUPAC Name]
(3S,6S,10S,11R,12S,13R,17R)-4-(Cyclohexylméthyl)-11,12-dihydroxy-15-(tétrahydro-2H-pyran-4-ylcarbonyl)-18,22-dioxa-1,4,7,15-tétraazatétracyclo[15.3.1.13,6.110,13]tricosane-2,8-dione [French] [ACD/IUPAC Name]
18,22-Dioxa-1,4,7,15-tetraazatetracyclo[15.3.1.13,6.110,13]tricosane-2,8-dione, 4-(cyclohexylmethyl)-11,12-dihydroxy-15-[(tetrahydro-2H-pyran-4-yl)carbonyl]-, (3S,6S,10S,11R,12S,13R,17R)- [ACD/Index 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: 861.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.4±6.0 kJ/mol
Flash Point: 475.1±34.3 °C
Index of Refraction: 1.608
Molar Refractivity: 152.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 0.28
ACD/LogD (pH 5.5): -2.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.47
Polar Surface Area: 141 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 65.5±5.0 dyne/cm
Molar Volume: 441.0±5.0 cm3

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