ChemSpider 2D Image | Methyl (2S)-2-{[({(2S,3S,5R)-3-azido-5-[(5S,6S)-5-bromo-6-methoxy-5-methyl-2,4-dioxotetrahydro-1(2H)-pyrimidinyl]tetrahydro-2-furanyl}methoxy)(4-bromophenoxy)phosphoryl]amino}propanoate (non-preferred name) | C21H27Br2N6O9P

Methyl (2S)-2-{[({(2S,3S,5R)-3-azido-5-[(5S,6S)-5-bromo-6-methoxy-5-methyl-2,4-dioxotetrahydro-1(2H)-pyrimidinyl]tetrahydro-2-furanyl}methoxy)(4-bromophenoxy)phosphoryl]amino}propanoate (non-preferred name)

  • Molecular FormulaC21H27Br2N6O9P
  • Average mass698.256 Da
  • Monoisotopic mass695.994385 Da
  • ChemSpider ID8115526

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(2S)-2-{[({(2S,3S,5R)-3-Azido-5-[(5S,6S)-5-bromo-6-méthoxy-5-méthyl-2,4-dioxotétrahydro-1(2H)-pyrimidinyl]tétrahydro-2-furanyl}méthoxy)(4-bromophénoxy)phosphoryl]amino}propanoate de méthyle (non-prefe rred name) [French] [ACD/IUPAC Name]
5,6-Dihydrothymidine, 3'-azido-5-bromo-5'-O-[(4-bromophenoxy)[[(1S)-2-methoxy-1-methyl-2-oxoethyl]amino]phosphinyl]-3'-deoxy-6-methoxy- [ACD/Index Name]
Methyl (2S)-2-{[({(2S,3S,5R)-3-azido-5-[(5S,6S)-5-bromo-6-methoxy-5-methyl-2,4-dioxotetrahydro-1(2H)-pyrimidinyl]tetrahydro-2-furanyl}methoxy)(4-bromophenoxy)phosphoryl]amino}propanoate (non-preferred name) [ACD/IUPAC Name]
Methyl-(2S)-2-{[({(2S,3S,5R)-3-azido-5-[(5S,6S)-5-brom-6-methoxy-5-methyl-2,4-dioxotetrahydro-1(2H)-pyrimidinyl]tetrahydro-2-furanyl}methoxy)(4-bromphenoxy)phosphoryl]amino}propanoat (non-preferred na me) [German] [ACD/IUPAC Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 15
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.41
ACD/KOC (pH 5.5): 372.23
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.33
ACD/KOC (pH 7.4): 371.17
Polar Surface Area: 164 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement