Found 35 results

Search term: C39H38N4O8 (Found by molecular formula)
ChemSpider 2D Image | (5R,8S,11R)-5-Benzyl-8-[2-(benzyloxy)-2-oxoethyl]-11-(1H-indol-3-ylmethyl)-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oic acid | C39H38N4O8

(5R,8S,11R)-5-Benzyl-8-[2-(benzyloxy)-2-oxoethyl]-11-(1H-indol-3-ylmethyl)-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oic acid

  • Molecular FormulaC39H38N4O8
  • Average mass690.741 Da
  • Monoisotopic mass690.268982 Da
  • ChemSpider ID21426155

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5R,8S,11R)-5-Benzyl-8-[2-(benzyloxy)-2-oxoethyl]-11-(1H-indol-3-ylmethyl)-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oic acid [ACD/IUPAC Name]
(5R,8S,11R)-5-Benzyl-8-[2-(benzyloxy)-2-oxoethyl]-11-(1H-indol-3-ylmethyl)-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-säure [German] [ACD/IUPAC Name]
Acide (5R,8S,11R)-5-benzyl-8-[2-(benzyloxy)-2-oxoéthyl]-11-(1H-indol-3-ylméthyl)-3,6,9-trioxo-1-phényl-2-oxa-4,7,10-triazadodécan-12-oïque [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: 1017.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 155.6±3.0 kJ/mol
Flash Point: 568.8±34.3 °C
Index of Refraction: 1.641
Molar Refractivity: 188.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 4
ACD/LogP: 7.36
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 63.57
ACD/KOC (pH 5.5): 159.35
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 2.64
ACD/KOC (pH 7.4): 6.62
Polar Surface Area: 176 Å2
Polarizability: 74.7±0.5 10-24cm3
Surface Tension: 61.1±3.0 dyne/cm
Molar Volume: 521.8±3.0 cm3

Click to predict properties on the Chemicalize site


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