ChemSpider 2D Image | (14R)-20-[(6-Methoxy-2H-chromen-3-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 | C31H38N6O5

(14R)-20-[(6-Methoxy-2H-chromen-3-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 FormulaC31H38N6O5
  • Average mass574.671 Da
  • Monoisotopic mass574.290344 Da
  • ChemSpider ID71344446

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(14R)-20-[(6-Methoxy-2H-chromen-3-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-[(6-Methoxy-2H-chromen-3-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-[(6-Méthoxy-2H-chromén-3-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-[(6-methoxy-2H-1-benzopyran-3-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: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.638
Molar Refractivity: 158.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.87
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 13.65
ACD/KOC (pH 5.5): 188.16
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 25.70
ACD/KOC (pH 7.4): 354.36
Polar Surface Area: 120 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 440.0±7.0 cm3

Click to predict properties on the Chemicalize site


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