ChemSpider 2D Image | 2-Amino-5-(5-amino-1-pentyn-1-yl)-7-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one | C16H24N5O13P3

2-Amino-5-(5-amino-1-pentyn-1-yl)-7-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-β-D-erythro-pentofuranosyl}-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one

  • Molecular FormulaC16H24N5O13P3
  • Average mass587.309 Da
  • Monoisotopic mass587.058350 Da
  • ChemSpider ID35033385

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Amino-5-(5-amino-1-pentin-1-yl)-7-{2-desoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-β-D-erythro-pentofuranosyl}-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
2-Amino-5-(5-amino-1-pentyn-1-yl)-7-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-β-D-erythro-pentofuranosyl}-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one [ACD/IUPAC Name]
2-Amino-5-(5-amino-1-pentyn-1-yl)-7-{2-désoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-β-D-érythro-pentofuranosyl}-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one [French] [ACD/IUPAC Name]
2-Amino-5-(5-Aminopent-1-Yn-1-Yl)-7-{2-Deoxy-5-O-[(S)-Hydroxy{[(S)-Hydroxy(Phosphonooxy)phosphoryl]oxy}phosphoryl]-β-D-Erythro-Pentofuranosyl}-3,7-Dihydro-4h-Pyrrolo[2,3-D]pyrimidin-4-One
4H-Pyrrolo[2,3-d]pyrimidin-4-one, 2-amino-5-(5-amino-1-pentyn-1-yl)-7-[2-deoxy-5-O-[(S)-hydroxy[[(S)-hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-erythro-pentofuranosyl]-3,7-dihydro- [ACD/Index Name]
0L7

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.767
Molar Refractivity: 116.3±0.5 cm3
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -5.21
ACD/LogD (pH 5.5): -10.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 317 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 125.9±7.0 dyne/cm
Molar Volume: 280.7±7.0 cm3

Click to predict properties on the Chemicalize site


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