Found 67 results

Search term: MF = 'C_{34}H_{38}N_{4}O_{8}'
ChemSpider 2D Image | Benzyl [(3S,6R,11R)-6-(2-{[(2S)-1-hydroxy-2-propanyl]amino}-2-oxoethyl)-3-(2-naphthylcarbamoyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]carbamate | C34H38N4O8

Benzyl [(3S,6R,11R)-6-(2-{[(2S)-1-hydroxy-2-propanyl]amino}-2-oxoethyl)-3-(2-naphthylcarbamoyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]carbamate

  • Molecular FormulaC34H38N4O8
  • Average mass630.688 Da
  • Monoisotopic mass630.268982 Da
  • ChemSpider ID5040559

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(3S,6R,11R)-6-(2-{[(2S)-1-Hydroxy-2-propanyl]amino}-2-oxoéthyl)-3-(2-naphtylcarbamoyl)-5,12-dioxo-1-oxa-4-azacyclododéc-8-én-11-yl]carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl [(3S,6R,11R)-6-(2-{[(2S)-1-hydroxy-2-propanyl]amino}-2-oxoethyl)-3-(2-naphthylcarbamoyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]carbamate [ACD/IUPAC Name]
Benzyl-[(3S,6R,11R)-6-(2-{[(2S)-1-hydroxy-2-propanyl]amino}-2-oxoethyl)-3-(2-naphthylcarbamoyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(3S,6R,11R)-6-[2-[[(1S)-2-hydroxy-1-methylethyl]amino]-2-oxoethyl]-3-[(2-naphthalenylamino)carbonyl]-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]-, phenylmethyl ester [ACD/Index Name]
AML1_002997

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1024.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 156.8±3.0 kJ/mol
Flash Point: 573.5±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 170.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.28
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.83
ACD/KOC (pH 5.5): 366.42
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 26.82
ACD/KOC (pH 7.4): 366.22
Polar Surface Area: 172 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 475.2±5.0 cm3

Click to predict properties on the Chemicalize site


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