Found 1 result

Search term: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N (Found by conversion of search term to chemical structure (connectivity match))
ChemSpider 2D Image | 1-[(3xi)-2-Amino-2-deoxy-5-O-phosphono-beta-L-erythro-pentofuranosyl]-2,4(1H,3H)-pyrimidinedione | C9H14N3O8P

1-[(3ξ)-2-Amino-2-deoxy-5-O-phosphono-β-L-erythro-pentofuranosyl]-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC9H14N3O8P
  • Average mass323.197 Da
  • Monoisotopic mass323.051849 Da
  • ChemSpider ID57491901

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1-[(3ξ)-2-Amino-2-deoxy-5-O-phosphono-β-L-erythro-pentofuranosyl]-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-[(3ξ)-2-Amino-2-desoxy-5-O-phosphono-β-L-erythro-pentofuranosyl]-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-[(3ξ)-2-Amino-2-désoxy-5-O-phosphono-β-L-érythro-pentofuranosyl]-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[(3ξ)-2-amino-2-deoxy-5-O-phosphono-β-L-erythro-pentofuranosyl]- [ACD/Index Name]
34407-64-2 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.621
Molar Refractivity: 64.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -2.28
ACD/LogD (pH 5.5): -5.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 181 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 90.4±3.0 dyne/cm
Molar Volume: 184.4±3.0 cm3

Click to predict properties on the Chemicalize site


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