ChemSpider 2D Image | Tetradecyl (2R,2'R,3R,3'R,4S,4'R)-3-acetamido-4-[(diaminomethylene)amino]-3',4'-dihydroxy-3,3',4,4',5',6'-hexahydro-2H,2'H-2,2'-bipyran-6-carboxylate | C28H50N4O7

Tetradecyl (2R,2'R,3R,3'R,4S,4'R)-3-acetamido-4-[(diaminomethylene)amino]-3',4'-dihydroxy-3,3',4,4',5',6'-hexahydro-2H,2'H-2,2'-bipyran-6-carboxylate

  • Molecular FormulaC28H50N4O7
  • Average mass554.719 Da
  • Monoisotopic mass554.367920 Da
  • ChemSpider ID8385089

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,2'R,3R,3'R,4S,4'R)-3-Acétamido-4-[(diaminométhylène)amino]-3',4'-dihydroxy-3,3',4,4',5',6'-hexahydro-2H,2'H-2,2'-bipyrane-6-carboxylate de tétradécyle [French] [ACD/IUPAC Name]
D-erythro-D-galacto-Undec-2-enonic acid, 5-(acetylamino)-2,6:7,11-dianhydro-3,4,5,10-tetradeoxy-4-[(diaminomethylene)amino]-, tetradecyl ester [ACD/Index Name]
Tetradecyl (2R,2'R,3R,3'R,4S,4'R)-3-acetamido-4-[(diaminomethylene)amino]-3',4'-dihydroxy-3,3',4,4',5',6'-hexahydro-2H,2'H-2,2'-bipyran-6-carboxylate [ACD/IUPAC Name]
Tetradecyl-(2R,2'R,3R,3'R,4S,4'R)-3-acetamido-4-[(diaminomethylen)amino]-3',4'-dihydroxy-3,3',4,4',5',6'-hexahydro-2H,2'H-2,2'-bipyran-6-carboxylat [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.574
Molar Refractivity: 143.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 14.74
ACD/KOC (pH 5.5): 64.58
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 18.37
ACD/KOC (pH 7.4): 80.46
Polar Surface Area: 179 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 47.8±7.0 dyne/cm
Molar Volume: 435.4±7.0 cm3

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