ChemSpider 2D Image | (14S)-14-Benzyl-19-(3-hydroxypropanoyl)-7-methoxy-5-oxa-1,13,16,19,23,24-hexaazatricyclo[20.2.1.0~6,11~]pentacosa-6,8,10,22(25),23-pentaene-12,15-dione | C29H36N6O6

(14S)-14-Benzyl-19-(3-hydroxypropanoyl)-7-methoxy-5-oxa-1,13,16,19,23,24-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 ID62733617

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(14S)-14-Benzyl-19-(3-hydroxypropanoyl)-7-methoxy-5-oxa-1,13,16,19,23,24-hexaazatricyclo[20.2.1.06,11]pentacosa-6,8,10,22(25),23-pentaen-12,15-dion [German] [ACD/IUPAC Name]
(14S)-14-Benzyl-19-(3-hydroxypropanoyl)-7-methoxy-5-oxa-1,13,16,19,23,24-hexaazatricyclo[20.2.1.06,11]pentacosa-6,8,10,22(25),23-pentaene-12,15-dione [ACD/IUPAC Name]
(14S)-14-Benzyl-19-(3-hydroxypropanoyl)-7-méthoxy-5-oxa-1,13,16,19,23,24-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-1,5,6,7,11,14,17-benzoxahexaazacycloeicosine-15,18-dione, 3,4,9,10,11,12,13,14,16,17-decahydro-11-(3-hydroxy-1-oxopropyl)-22-methoxy-16-(phenylmethyl)-, (16S)- [ACD/Index Name]
(16S)-16-benzyl-11-(3-hydroxypropanoyl)-22-methoxy-3,4,9,10,11,12,13,14,16,17-decahydro-2H-5,8-metheno-1,5,6,7,11,14,17-benzoxahexaazacycloicosine-15,18-dione

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: 1.633
Molar Refractivity: 152.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.85
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.59
ACD/KOC (pH 5.5): 48.45
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.59
ACD/KOC (pH 7.4): 48.45
Polar Surface Area: 148 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 54.1±7.0 dyne/cm
Molar Volume: 426.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement