ChemSpider 2D Image | Thymectacin | C21H25BrN3O9P

Thymectacin

  • Molecular FormulaC21H25BrN3O9P
  • Average mass574.316 Da
  • Monoisotopic mass573.051147 Da
  • ChemSpider ID4945015
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres


More details:






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

(2S)-2-{[{[(2R,3S,5R)-5-{5-[(E)-2-Bromovinyl]-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl}-3-hydroxytétrahydro-2-furanyl]méthoxy}(phénoxy)phosphoryl]amino}propanoate de méthyle [French] [ACD/IUPAC Name]
(2S)-2-{[{[(2R,3S,5R)-5-{5-[(E)-2-Bromovinyl]-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl}-3-hydroxytétrahydro-2-furanyl]méthoxy}(phénoxy)phosphoryl]amino}propanoate de méthyle (non-preferred name) [French] [ACD/IUPAC Name]
232925-18-7 [RN]
2ZRZ4TSW3F
Methyl (2S)-2-{[{[(2R,3S,5R)-5-{5-[(E)-2-bromovinyl]-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl}-3-hydroxytetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate [ACD/IUPAC Name]
Methyl (2S)-2-{[{[(2R,3S,5R)-5-{5-[(E)-2-bromovinyl]-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl}-3-hydroxytetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate (non-preferred name) [ACD/IUPAC Name]
Methyl-(2S)-2-{[{[(2R,3S,5R)-5-{5-[(E)-2-bromvinyl]-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl}-3-hydroxytetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoat [German] [ACD/IUPAC Name]
Methyl-(2S)-2-{[{[(2R,3S,5R)-5-{5-[(E)-2-bromvinyl]-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl}-3-hydroxytetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoat (non-preferred name) [German] [ACD/IUPAC Name]
Thymectacin [Wiki]
Uridine, 5-[(E)-2-bromoethenyl]-2'-deoxy-5'-O-[[[(1S)-2-methoxy-1-methyl-2-oxoethyl]amino]phenoxyphosphinyl]- [ACD/Index Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS122706 [DBID]
AIDS-122706 [DBID]
NB 1011 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.626
Molar Refractivity: 127.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 0.56
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 2.95
ACD/KOC (pH 5.5): 75.38
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 2.64
ACD/KOC (pH 7.4): 67.59
Polar Surface Area: 163 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 67.4±3.0 dyne/cm
Molar Volume: 359.5±3.0 cm3

Click to predict properties on the Chemicalize site






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