ChemSpider 2D Image | 1-(3-Azido-2,3-dideoxy-5-O-{[(9xi,11beta,14xi,17beta)-11-hydroxy-3-oxoandrost-4-en-17-yl]carbonyl}pentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione | C30H39N5O7

1-(3-Azido-2,3-dideoxy-5-O-{[(9ξ,11β,14ξ,17β)-11-hydroxy-3-oxoandrost-4-en-17-yl]carbonyl}pentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC30H39N5O7
  • Average mass581.660 Da
  • Monoisotopic mass581.284973 Da
  • ChemSpider ID327524

  • defined stereocentres - 5 of 10 defined stereocentres

More details:

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

1-(3-Azido-2,3-dideoxy-5-O-{[(9ξ,11β,14ξ,17β)-11-hydroxy-3-oxoandrost-4-en-17-yl]carbonyl}pentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-(3-Azido-2,3-didesoxy-5-O-{[(9ξ,11β,14ξ,17β)-11-hydroxy-3-oxoandrost-4-en-17-yl]carbonyl}pentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-(3-Azido-2,3-didésoxy-5-O-{[(9ξ,11β,14ξ,17β)-11-hydroxy-3-oxoandrost-4-én-17-yl]carbonyl}pentofuranosyl)-5-méthyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[3-azido-2,3-dideoxy-5-O-[[(9ξ,11β,14ξ,17β)-11-hydroxy-3-oxoandrost-4-en-17-yl]carbonyl]pentofuranosyl]-5-methyl- [ACD/Index Name]
3'-Azido-2', 3'-dideoxy-5'-O-[(11β-hydroxy-3-oxo-17β-androst-4-eno)car bonyl]thymidine
3'-Azido-2',3'-dideoxy-5'-O-[(11β-hydroxy-3-oxo-17β-androst-4-eno)carbonyl]thymidine

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

NSC640323 [DBID]

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: 12
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.89
ACD/KOC (pH 5.5): 414.89
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.67
ACD/KOC (pH 7.4): 412.04
Polar Surface Area: 135 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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