ChemSpider 2D Image | (9R)-13-[3-(1,3-Benzodioxol-5-yl)propanoyl]-9-benzyl-19-methoxy-4-methyl-3,17-dioxa-7,10,13,23-tetraazatricyclo[16.3.1.1~2,5~]tricosa-1(22),2(23),4,18,20-pentaene-8,11-dione | C36H38N4O8

(9R)-13-[3-(1,3-Benzodioxol-5-yl)propanoyl]-9-benzyl-19-methoxy-4-methyl-3,17-dioxa-7,10,13,23-tetraazatricyclo[16.3.1.12,5]tricosa-1(22),2(23),4,18,20-pentaene-8,11-dione

  • Molecular FormulaC36H38N4O8
  • Average mass654.709 Da
  • Monoisotopic mass654.268982 Da
  • ChemSpider ID76831064

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(9R)-13-[3-(1,3-Benzodioxol-5-yl)propanoyl]-9-benzyl-19-methoxy-4-methyl-3,17-dioxa-7,10,13,23-tetraazatricyclo[16.3.1.12,5]tricosa-1(22),2(23),4,18,20-pentaen-8,11-dion [German] [ACD/IUPAC Name]
(9R)-13-[3-(1,3-Benzodioxol-5-yl)propanoyl]-9-benzyl-19-methoxy-4-methyl-3,17-dioxa-7,10,13,23-tetraazatricyclo[16.3.1.12,5]tricosa-1(22),2(23),4,18,20-pentaene-8,11-dione [ACD/IUPAC Name]
(9R)-13-[3-(1,3-Benzodioxol-5-yl)propanoyl]-9-benzyl-19-méthoxy-4-méthyl-3,17-dioxa-7,10,13,23-tétraazatricyclo[16.3.1.12,5]tricosa-1(22),2(23),4,18,20-pentaène-8,11-dione [French] [ACD/IUPAC Name]
3,17-Dioxa-7,10,13,23-tetraazatricyclo[16.3.1.12,5]tricosa-1(22),2(23),4,18,20-pentaene-8,11-dione, 13-[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]-19-methoxy-4-methyl-9-(phenylmethyl)-, (9R)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.576
Molar Refractivity: 173.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 250.91
ACD/KOC (pH 5.5): 1816.25
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 250.91
ACD/KOC (pH 7.4): 1816.26
Polar Surface Area: 141 Å2
Polarizability: 68.9±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 524.9±3.0 cm3

Click to predict properties on the Chemicalize site


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