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Search term: JQTQPUSSMXPQMW (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 7-{2-Deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-5-{5-[(10-hydroxydecanoyl)amino]-1-pentyn-1-yl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine | C26H42N5O14P3

7-{2-Deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-β-D-erythro-pentofuranosyl}-5-{5-[(10-hydroxydecanoyl)amino]-1-pentyn-1-yl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine

  • Molecular FormulaC26H42N5O14P3
  • Average mass741.558 Da
  • Monoisotopic mass741.194092 Da
  • ChemSpider ID35033381

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

7-{2-Deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-β-D-erythro-pentofuranosyl}-5-{5-[(10-hydroxydecanoyl)amino]-1-pentyn-1-yl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine [ACD/IUPAC Name]
7-{2-Deoxy-5-O-[(S)-Hydroxy{[(S)-Hydroxy(Phosphonooxy)phosphoryl]oxy}phosphoryl]-β-D-Erythro-Pentofuranosyl}-5-{5-[(10-Hydroxydecanoyl)amino]pent-1-Yn-1-Yl}-7h-Pyrrolo[2,3-D]pyrimidin-4-Amine
7-{2-Desoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-β-D-erythro-pentofuranosyl}-5-{5-[(10-hydroxydecanoyl)amino]-1-pentin-1-yl}-7H-pyrrolo[2,3-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
7-{2-Désoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-β-D-érythro-pentofuranosyl}-5-{5-[(10-hydroxydecanoyl)amino]-1-pentyn-1-yl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 7-[2-deoxy-5-O-[(S)-hydroxy[[(S)-hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-erythro-pentofuranosyl]-5-[5-[(10-hydroxy-1-oxodecyl)amino]-1-pentyn-1-yl]- [ACD/Index Name]
0L3

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.659
Molar Refractivity: 164.4±0.5 cm3
#H bond acceptors: 19
#H bond donors: 9
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: -2.07
ACD/LogD (pH 5.5): -8.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 325 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 82.5±7.0 dyne/cm
Molar Volume: 446.1±7.0 cm3

Click to predict properties on the Chemicalize site


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