ChemSpider 2D Image | (3S,6S,10S,11R,12S,13R,17R)-4-(2,3-Dihydro-1H-inden-2-yl)-15-(3,3-dimethylbutanoyl)-11,12-dihydroxy-18,22-dioxa-1,4,7,15-tetraazatetracyclo[15.3.1.1~3,6~.1~10,13~]tricosane-2,8-dione | C32H46N4O7

(3S,6S,10S,11R,12S,13R,17R)-4-(2,3-Dihydro-1H-inden-2-yl)-15-(3,3-dimethylbutanoyl)-11,12-dihydroxy-18,22-dioxa-1,4,7,15-tetraazatetracyclo[15.3.1.13,6.110,13]tricosane-2,8-dione

  • Molecular FormulaC32H46N4O7
  • Average mass598.730 Da
  • Monoisotopic mass598.336670 Da
  • ChemSpider ID65261331

  • 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-(2,3-Dihydro-1H-inden-2-yl)-15-(3,3-dimethylbutanoyl)-11,12-dihydroxy-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-(2,3-Dihydro-1H-inden-2-yl)-15-(3,3-dimethylbutanoyl)-11,12-dihydroxy-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-(2,3-Dihydro-1H-indén-2-yl)-15-(3,3-diméthylbutanoyl)-11,12-dihydroxy-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-(2,3-dihydro-1H-inden-2-yl)-15-(3,3-dimethyl-1-oxobutyl)-11,12-dihydroxy-, (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: 851.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.7±3.0 kJ/mol
Flash Point: 468.8±34.3 °C
Index of Refraction: 1.629
Molar Refractivity: 159.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.66
ACD/LogD (pH 5.5): -1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.08
ACD/KOC (pH 7.4): 19.86
Polar Surface Area: 132 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 65.8±5.0 dyne/cm
Molar Volume: 447.1±5.0 cm3

Click to predict properties on the Chemicalize site


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