Found 20 results

Search term: MF = 'C_{31}H_{33}N_{3}O_{11}'
ChemSpider 2D Image | 2-[5,11-Bis(2-methoxy-2-oxoethyl)-2-methyl-6,7,10,11,18,19-hexahydro-5H,9H-benzo[e][1]benzofuro[6,5-n][1,4,10,7,13]trioxadiazacyclopentadecin-14-yl]-1,3-oxazole-5-carboxylic acid | C31H33N3O11

2-[5,11-Bis(2-methoxy-2-oxoethyl)-2-methyl-6,7,10,11,18,19-hexahydro-5H,9H-benzo[e][1]benzofuro[6,5-n][1,4,10,7,13]trioxadiazacyclopentadecin-14-yl]-1,3-oxazole-5-carboxylic acid

  • Molecular FormulaC31H33N3O11
  • Average mass623.607 Da
  • Monoisotopic mass623.211487 Da
  • ChemSpider ID8321339

More details:

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

2-[5,11-Bis(2-methoxy-2-oxoethyl)-2-methyl-6,7,10,11,18,19-hexahydro-5H,9H-benzo[e][1]benzofuro[6,5-n][1,4,10,7,13]trioxadiazacyclopentadecin-14-yl]-1,3-oxazol-5-carbonsäure [German] [ACD/IUPAC Name]
2-[5,11-Bis(2-methoxy-2-oxoethyl)-2-methyl-6,7,10,11,18,19-hexahydro-5H,9H-benzo[e][1]benzofuro[6,5-n][1,4,10,7,13]trioxadiazacyclopentadecin-14-yl]-1,3-oxazole-5-carboxylic acid [ACD/IUPAC Name]
5H,11H-Benzo[e]benzofuro[6,5-n][1,4,10,7,13]trioxadiazacyclopentadecine-5,11-diacetic acid, 14-(5-carboxy-2-oxazolyl)-6,7,9,10,18,19-hexahydro-2-methyl-, 5,11-dimethyl ester [ACD/Index Name]
Acide 2-[5,11-bis(2-méthoxy-2-oxoéthyl)-2-méthyl-6,7,10,11,18,19-hexahydro-5H,9H-benzo[e][1]benzofuro[6,5-n][1,4,10,7,13]trioxadiazacyclopentadécin-14-yl]-1,3-oxazole-5-carboxylique [French] [ACD/IUPAC 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: 826.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.9±3.0 kJ/mol
Flash Point: 453.5±37.1 °C
Index of Refraction: 1.564
Molar Refractivity: 157.2±0.3 cm3
#H bond acceptors: 14
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.44
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 163 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 483.1±3.0 cm3

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