ChemSpider 2D Image | 5'-Deoxy-2',3'-O-isopropylidene-5'-(4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)adenosine | C25H34N10O4S

5'-Deoxy-2',3'-O-isopropylidene-5'-(4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)adenosine

  • Molecular FormulaC25H34N10O4S
  • Average mass570.667 Da
  • Monoisotopic mass570.248535 Da
  • ChemSpider ID35035763
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

5'-Deoxy-2',3'-O-(1-Methylethylidene)-5'-(4-{5-[(3as,4s,6ar)-2-Oxohexahydro-1h-Thieno[3,4-D]imidazol-4-Yl]pentyl}-1h-1,2,3-Triazol-1-Yl)adenosine
5'-Deoxy-2',3'-O-isopropylidene-5'-(4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)adenosine [ACD/IUPAC Name]
5'-Desoxy-2',3'-O-isopropyliden-5'-(4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)adenosin [German] [ACD/IUPAC Name]
5'-Désoxy-2',3'-O-isopropylidène-5'-(4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thiéno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-deoxy-5'-[4-[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]pentyl]-1H-1,2,3-triazol-1-yl]-2',3'-O-(1-methylethylidene)- [ACD/Index Name]
C77

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.856
Molar Refractivity: 144.1±0.5 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 41.83
ACD/KOC (pH 5.5): 500.28
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 42.77
ACD/KOC (pH 7.4): 511.53
Polar Surface Area: 194 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 80.9±7.0 dyne/cm
Molar Volume: 320.9±7.0 cm3

Click to predict properties on the Chemicalize site






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