Found 43 results

Search term: MF = 'C_{36}H_{40}N_{4}O_{8}'
ChemSpider 2D Image | Benzyl [(3S,6R,11R)-6-{2-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-3-(2-naphthylcarbamoyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]carbamate | C36H40N4O8

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

  • Molecular FormulaC36H40N4O8
  • Average mass656.725 Da
  • Monoisotopic mass656.284607 Da
  • ChemSpider ID5040579

  • 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)-2-(Hydroxyméthyl)-1-pyrrolidinyl]-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)-2-(hydroxymethyl)-1-pyrrolidinyl]-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)-2-(hydroxymethyl)-1-pyrrolidinyl]-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-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl]-3-[(2-naphthalenylamino)carbonyl]-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]-, phenylmethyl ester [ACD/Index Name]
AML1_003017

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1017.2±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: 569.0±34.3 °C
Index of Refraction: 1.650
Molar Refractivity: 177.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.31
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 53.94
ACD/KOC (pH 5.5): 604.34
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 53.90
ACD/KOC (pH 7.4): 603.96
Polar Surface Area: 163 Å2
Polarizability: 70.5±0.5 10-24cm3
Surface Tension: 67.9±5.0 dyne/cm
Molar Volume: 487.3±5.0 cm3

Click to predict properties on the Chemicalize site


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