ChemSpider 2D Image | (14R)-20-[(7-Methoxy-1,3-benzodioxol-5-yl)methyl]-8,14-dimethyl-5-oxa-1,13,16,20,23,24-hexaazatricyclo[20.2.1.0~6,11~]pentacosa-6,8,10,22(25),23-pentaene-12,15-dione | C29H36N6O6

(14R)-20-[(7-Methoxy-1,3-benzodioxol-5-yl)methyl]-8,14-dimethyl-5-oxa-1,13,16,20,23,24-hexaazatricyclo[20.2.1.06,11]pentacosa-6,8,10,22(25),23-pentaene-12,15-dione

  • Molecular FormulaC29H36N6O6
  • Average mass564.633 Da
  • Monoisotopic mass564.269653 Da
  • ChemSpider ID71342304

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(14R)-20-[(7-Methoxy-1,3-benzodioxol-5-yl)methyl]-8,14-dimethyl-5-oxa-1,13,16,20,23,24-hexaazatricyclo[20.2.1.06,11]pentacosa-6,8,10,22(25),23-pentaen-12,15-dion [German] [ACD/IUPAC Name]
(14R)-20-[(7-Methoxy-1,3-benzodioxol-5-yl)methyl]-8,14-dimethyl-5-oxa-1,13,16,20,23,24-hexaazatricyclo[20.2.1.06,11]pentacosa-6,8,10,22(25),23-pentaene-12,15-dione [ACD/IUPAC Name]
(14R)-20-[(7-Méthoxy-1,3-benzodioxol-5-yl)méthyl]-8,14-diméthyl-5-oxa-1,13,16,20,23,24-hexaazatricyclo[20.2.1.06,11]pentacosa-6,8,10,22(25),23-pentaène-12,15-dione [French] [ACD/IUPAC Name]
5,8-Metheno-2H-1,5,6,7,10,14,17-benzoxahexaazacycloeicosine-15,18-dione, 3,4,9,10,11,12,13,14,16,17-decahydro-10-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-16,21-dimethyl-, (16R)- [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: 1.645
Molar Refractivity: 150.3±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 0.81
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 5.95
ACD/KOC (pH 5.5): 111.05
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 8.91
ACD/KOC (pH 7.4): 166.21
Polar Surface Area: 129 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 414.3±7.0 cm3

Click to predict properties on the Chemicalize site


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