ChemSpider 2D Image | Benzyl 6-[2-({1-[4-(benzyloxy)phenyl]-3-hydroxy-2-propanyl}amino)-2-oxoethyl]-5,12-dioxo-1-oxa-4-azacyclododec-8-ene-3-carboxylate | C36H40N2O8

Benzyl 6-[2-({1-[4-(benzyloxy)phenyl]-3-hydroxy-2-propanyl}amino)-2-oxoethyl]-5,12-dioxo-1-oxa-4-azacyclododec-8-ene-3-carboxylate

  • Molecular FormulaC36H40N2O8
  • Average mass628.711 Da
  • Monoisotopic mass628.278442 Da
  • ChemSpider ID4185563

More details:

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

1-Oxa-4-azacyclododec-8-ene-3-carboxylic acid, 6-[2-[[2-hydroxy-1-[[4-(phenylmethoxy)phenyl]methyl]ethyl]amino]-2-oxoethyl]-5,12-dioxo-, phenylmethyl ester [ACD/Index Name]
6-[2-({1-[4-(Benzyloxy)phényl]-3-hydroxy-2-propanyl}amino)-2-oxoéthyl]-5,12-dioxo-1-oxa-4-azacyclododéc-8-ène-3-carboxylate de benzyle [French] [ACD/IUPAC Name]
Benzyl 6-[2-({1-[4-(benzyloxy)phenyl]-3-hydroxy-2-propanyl}amino)-2-oxoethyl]-5,12-dioxo-1-oxa-4-azacyclododec-8-ene-3-carboxylate [ACD/IUPAC Name]
Benzyl-6-[2-({1-[4-(benzyloxy)phenyl]-3-hydroxy-2-propanyl}amino)-2-oxoethyl]-5,12-dioxo-1-oxa-4-azacyclododec-8-en-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 915.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.5±3.0 kJ/mol
Flash Point: 507.7±34.3 °C
Index of Refraction: 1.568
Molar Refractivity: 170.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 471.50
ACD/KOC (pH 5.5): 2852.88
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 471.50
ACD/KOC (pH 7.4): 2852.88
Polar Surface Area: 140 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 520.9±3.0 cm3

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