ChemSpider 2D Image | (1R,2R)-2-[(2,2-Dichloro-1-hydroxyethyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl hydrogen (S)-{4-[(trifluoroacetyl)amino]benzyl}phosphonate | C20H21Cl2F3N3O8P

(1R,2R)-2-[(2,2-Dichloro-1-hydroxyethyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl hydrogen (S)-{4-[(trifluoroacetyl)amino]benzyl}phosphonate

  • Molecular FormulaC20H21Cl2F3N3O8P
  • Average mass590.271 Da
  • Monoisotopic mass589.039551 Da
  • ChemSpider ID4451407

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1R,2R)-2-[(2,2-Dichlor-1-hydroxyethyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl-hydrogen(S)-{4-[(trifluoracetyl)amino]benzyl}phosphonat [German] [ACD/IUPAC Name]
(1R,2R)-2-[(2,2-Dichloro-1-hydroxyethyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl hydrogen (S)-{4-[(trifluoroacetyl)amino]benzyl}phosphonate [ACD/IUPAC Name]
Hydrogéno(S)-{4-[(2,2,2-trifluoroacétyl)amino]benzyl}phosphonate de (1R,2R)-2-[(2,2-dichloro-1-hydroxyéthyl)amino]-3-hydroxy-1-(4-nitrophényl)propyle [French] [ACD/IUPAC Name]
Phosphonic acid, P-[(1S)-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]-, mono[(1R,2R)-2-[(2,2-dichloro-1-hydroxyethyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl] ester, (S)- [ACD/Index Name]
[4-(2,2,2-TRIFLUORO-ACETYLAMINO)-BENZYL]-PHOSPHONIC ACID MONO-[2-(2,2-DICHLORO-1-HYDROXY-ETHYLAMINO)-3-HYDROXY-1-(4-NITRO-PHENYL)-PROPYL] ESTER
TAA

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.606
Molar Refractivity: 126.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 2.84
ACD/LogD (pH 5.5): -1.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 184 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 63.6±3.0 dyne/cm
Molar Volume: 366.8±3.0 cm3

Click to predict properties on the Chemicalize site


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