Found 1 result

Search term: SSZYXLJZIWJPOK-WFYRVMFESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Benzyl (2R)-2-({[(5-{5-[(E)-2-bromovinyl]-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl}-3-hydroxytetrahydro-2-furanyl)methoxy](1-naphthyloxy)phosphoryl}amino)propanoate | C31H31BrN3O9P

Benzyl (2R)-2-({[(5-{5-[(E)-2-bromovinyl]-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl}-3-hydroxytetrahydro-2-furanyl)methoxy](1-naphthyloxy)phosphoryl}amino)propanoate

  • Molecular FormulaC31H31BrN3O9P
  • Average mass700.470 Da
  • Monoisotopic mass699.098145 Da
  • ChemSpider ID23265357

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 5 defined stereocentres

More details:

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

(2R)-2-({[(5-{5-[(E)-2-Bromovinyl]-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl}-3-hydroxytétrahydro-2-furanyl)méthoxy](1-naphtyloxy)phosphoryl}amino)propanoate de benzyle [French] [ACD/IUPAC Name]
benzyl (2R)-2-({[(5-{5-[(E)-2-bromoethenyl]-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}-3-hydroxytetrahydrofuran-2-yl)methoxy](naphthalen-1-yloxy)phosphoryl}amino)propanoate (non-preferred name)
Benzyl (2R)-2-({[(5-{5-[(E)-2-bromovinyl]-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl}-3-hydroxytetrahydro-2-furanyl)methoxy](1-naphthyloxy)phosphoryl}amino)propanoate [ACD/IUPAC Name]
Benzyl-(2R)-2-({[(5-{5-[(E)-2-bromvinyl]-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl}-3-hydroxytetrahydro-2-furanyl)methoxy](1-naphthyloxy)phosphoryl}amino)propanoat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.669
Molar Refractivity: 169.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 152.22
ACD/KOC (pH 5.5): 1269.53
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 136.49
ACD/KOC (pH 7.4): 1138.33
Polar Surface Area: 163 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 68.9±3.0 dyne/cm
Molar Volume: 454.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement