Found 12 results

Search term: MF = 'C_{28}H_{48}NO_{7}P'
ChemSpider 2D Image | Dimethyl [(4S,5R)-5-{[(benzyloxy)carbonyl]oxy}-4-(hexanoylamino)dodecyl]phosphonate | C28H48NO7P

Dimethyl [(4S,5R)-5-{[(benzyloxy)carbonyl]oxy}-4-(hexanoylamino)dodecyl]phosphonate

  • Molecular FormulaC28H48NO7P
  • Average mass541.657 Da
  • Monoisotopic mass541.316833 Da
  • ChemSpider ID9257255

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(4S,5R)-5-{[(Benzyloxy)carbonyl]oxy}-4-(hexanoylamino)dodécyl]phosphonate de diméthyle [French] [ACD/IUPAC Name]
Carbonic acid, (1R)-1-[(1S)-4-(dimethoxyphosphinyl)-1-[(1-oxohexyl)amino]butyl]octyl phenylmethyl ester [ACD/Index Name]
Dimethyl [(4S,5R)-5-{[(benzyloxy)carbonyl]oxy}-4-(hexanoylamino)dodecyl]phosphonate [ACD/IUPAC Name]
Dimethyl-[(4S,5R)-5-{[(benzyloxy)carbonyl]oxy}-4-(hexanoylamino)dodecyl]phosphonat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 665.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 356.2±31.5 °C
Index of Refraction: 1.489
Molar Refractivity: 145.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 2
ACD/LogP: 6.28
ACD/LogD (pH 5.5): 6.93
ACD/BCF (pH 5.5): 109841.20
ACD/KOC (pH 5.5): 141175.17
ACD/LogD (pH 7.4): 6.93
ACD/BCF (pH 7.4): 109841.33
ACD/KOC (pH 7.4): 141175.33
Polar Surface Area: 110 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 505.8±3.0 cm3

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