Found 1 result

Search term: COC(=O)N[C@@H](CCc1c(C)nc2n(C)c3n(cnc3c(=O)n12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C(=O)OC (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | wybutosine 5'-monophosphate | C21H29N6O12P

wybutosine 5'-monophosphate

  • Molecular FormulaC21H29N6O12P
  • Average mass588.462 Da
  • Monoisotopic mass588.158081 Da
  • ChemSpider ID25061219

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

7-{(3S)-4-Methoxy-3-[(methoxycarbonyl)amino]-4-oxobutyl}-4,6-dimethyl-3-(5-O-phosphono-β-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-on [German] [ACD/IUPAC Name]
7-{(3S)-4-Methoxy-3-[(methoxycarbonyl)amino]-4-oxobutyl}-4,6-dimethyl-3-(5-O-phosphono-β-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one [ACD/IUPAC Name]
7-{(3S)-4-Méthoxy-3-[(méthoxycarbonyl)amino]-4-oxobutyl}-4,6-diméthyl-3-(5-O-phosphono-β-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one [French] [ACD/IUPAC Name]
9H-Imidazo[1,2-a]purin-9-one, 3,4-dihydro-7-[(3S)-4-methoxy-3-[(methoxycarbonyl)amino]-4-oxobutyl]-4,6-dimethyl-3-(5-O-phosphono-β-D-ribofuranosyl)- [ACD/Index Name]
wybutosine 5'-monophosphate

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: 1.726
Molar Refractivity: 128.7±0.5 cm3
#H bond acceptors: 18
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -0.23
ACD/LogD (pH 5.5): -5.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 247 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 81.4±7.0 dyne/cm
Molar Volume: 323.6±7.0 cm3

Click to predict properties on the Chemicalize site


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