ChemSpider 2D Image | (1R,18R,20S,24S,27R)-7-Methoxy-24-(2-methyl-2-propanyl)-22,25-dioxo-2,21-dioxa-4,11,23,26-tetraazapentacyclo[24.2.1.0~3,12~.0~5,10~.0~18,20~]nonacosa-3,5,7,9,11-pentaene-27-carboxylic acid | C29H38N4O7

(1R,18R,20S,24S,27R)-7-Methoxy-24-(2-methyl-2-propanyl)-22,25-dioxo-2,21-dioxa-4,11,23,26-tetraazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaene-27-carboxylic acid

  • Molecular FormulaC29H38N4O7
  • Average mass554.635 Da
  • Monoisotopic mass554.274048 Da
  • ChemSpider ID128925263

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,18R,20S,24S,27R)-7-Methoxy-24-(2-methyl-2-propanyl)-22,25-dioxo-2,21-dioxa-4,11,23,26-tetraazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaen-27-carbonsäure [German] [ACD/IUPAC Name]
(1R,18R,20S,24S,27R)-7-Methoxy-24-(2-methyl-2-propanyl)-22,25-dioxo-2,21-dioxa-4,11,23,26-tetraazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaene-27-carboxylic acid [ACD/IUPAC Name]
8H-7,10-Methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxylic acid, 5-(1,1-dimethylethyl)-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-14-methoxy-3,6-diox o-, (1aS,5S,8R,10R,22aR)- [ACD/Index Name]
Acide (1R,18R,20S,24S,27R)-7-méthoxy-24-(2-méthyl-2-propanyl)-22,25-dioxo-2,21-dioxa-4,11,23,26-tétraazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaène-27-carboxylique [French] [ACD/IUPAC Name]
1206524-85-7 [RN]
8H-7,10-Methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxylic acid, 5-(1,1-dimethylethyl)-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-14-methoxy-3,6-dioxo-, (1aR,5S,8S,10R,22aR)-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 825.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.7±3.0 kJ/mol
Flash Point: 452.7±34.3 °C
Index of Refraction: 1.616
Molar Refractivity: 145.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 6.04
ACD/KOC (pH 5.5): 28.53
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.29
Polar Surface Area: 140 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 65.0±5.0 dyne/cm
Molar Volume: 416.8±5.0 cm3

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