ChemSpider 2D Image | 1-{(3xi)-3-Azido-2,3-dideoxy-5-O-[(phosphonatooxy)phosphinato]-beta-D-glycero-pentofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidinedione | C10H12N5O10P2

1-{(3ξ)-3-Azido-2,3-dideoxy-5-O-[(phosphonatooxy)phosphinato]-β-D-glycero-pentofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC10H12N5O10P2
  • Average mass424.179 Da
  • Monoisotopic mass424.007599 Da
  • ChemSpider ID23349096
  • Charge - Charge

    defined stereocentres - 2 of 3 defined stereocentres


More details:






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

1-{(3ξ)-3-Azido-2,3-dideoxy-5-O-[(phosphonatooxy)phosphinato]-β-D-glycero-pentofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-{(3ξ)-3-Azido-2,3-dideoxy-5-O-[(phosphonatooxy)phosphinato]-β-D-glycero-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione
1-{(3ξ)-3-Azido-2,3-didesoxy-5-O-[(phosphonatooxy)phosphinato]-β-D-glycero-pentofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-{(3ξ)-3-Azido-2,3-didésoxy-5-O-[(phosphonatooxy)phosphinato]-β-D-glycéro-pentofuranosyl}-5-méthyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[(3ξ)-3-azido-2,3-dideoxy-5-O-[hydroxy(phosphonooxy)phosphinyl]-β-D-glycero-pentofuranosyl]-5-methyl-, ion(3-) [ACD/Index Name]
106060-89-3 [RN]
3'-azido-3'-deoxythymidine 5'-diphosphate

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 15
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -3.23
ACD/LogD (pH 5.5): -8.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 212 Å2
Polarizability:
Surface Tension:
Molar Volume:

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