Found 10 results

Search term: MF = 'C_{35}H_{44}N_{2}O_{12}'
ChemSpider 2D Image | Ethyl (5S)-N-acetyl-5-{benzyl[(benzyloxy)carbonyl]amino}-6-[(2R,3R,4R)-3,4,5-triacetoxytetrahydro-2-furanyl]-L-norleucinate | C35H44N2O12

Ethyl (5S)-N-acetyl-5-{benzyl[(benzyloxy)carbonyl]amino}-6-[(2R,3R,4R)-3,4,5-triacetoxytetrahydro-2-furanyl]-L-norleucinate

  • Molecular FormulaC35H44N2O12
  • Average mass684.730 Da
  • Monoisotopic mass684.289429 Da
  • ChemSpider ID8708000

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(5S)-N-Acétyl-5-{benzyl[(benzyloxy)carbonyl]amino}-6-[(2R,3R,4R)-3,4,5-triacétoxytétrahydro-2-furanyl]-L-norleucinate d'éthyle [French] [ACD/IUPAC Name]
D-glycero-L-talo-Decofuranuronic acid, 9-(acetylamino)-5,6,7,8,9-pentadeoxy-6-[[(phenylmethoxy)carbonyl](phenylmethyl)amino]-, ethyl ester, 1,2,3-triacetate [ACD/Index Name]
Ethyl (5S)-N-acetyl-5-{benzyl[(benzyloxy)carbonyl]amino}-6-[(2R,3R,4R)-3,4,5-triacetoxytetrahydro-2-furanyl]-L-norleucinate [ACD/IUPAC Name]
Ethyl-(5S)-N-acetyl-5-{benzyl[(benzyloxy)carbonyl]amino}-6-[(2R,3R,4R)-3,4,5-triacetoxytetrahydro-2-furanyl]-L-norleucinat [German] [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: 784.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.2±3.0 kJ/mol
Flash Point: 428.3±32.9 °C
Index of Refraction: 1.562
Molar Refractivity: 174.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 1
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1030.89
ACD/KOC (pH 5.5): 4994.08
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1030.89
ACD/KOC (pH 7.4): 4994.08
Polar Surface Area: 173 Å2
Polarizability: 69.2±0.5 10-24cm3
Surface Tension: 55.0±5.0 dyne/cm
Molar Volume: 538.1±5.0 cm3

Click to predict properties on the Chemicalize site


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