ChemSpider 2D Image | 9-{5-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-2-deoxy-alpha-D-threo-pentofuranosyl}-2-(isobutyrylamino)-1,9-dihydro-6H-purin-6-one | C35H37N5O7

9-{5-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-2-deoxy-α-D-threo-pentofuranosyl}-2-(isobutyrylamino)-1,9-dihydro-6H-purin-6-one

  • Molecular FormulaC35H37N5O7
  • Average mass639.698 Da
  • Monoisotopic mass639.269287 Da
  • ChemSpider ID71116356

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

6H-Purin-6-one, 9-[5-O-[bis(4-methoxyphenyl)phenylmethyl]-2-deoxy-α-D-threo-pentofuranosyl]-1,9-dihydro-2-[(2-methyl-1-oxopropyl)amino]- [ACD/Index Name]
9-{5-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-2-deoxy-α-D-threo-pentofuranosyl}-2-(isobutyrylamino)-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
9-{5-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-2-desoxy-α-D-threo-pentofuranosyl}-2-(isobutyrylamino)-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
9-{5-O-[Bis(4-méthoxyphényl)(phényl)méthyl]-2-désoxy-α-D-thréo-pentofuranosyl}-2-(isobutyrylamino)-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
149099-40-1 [RN]
2'-Deoxy-5'-O-DMT-N2-isobutyryl-a-guanosine

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.651
Molar Refractivity: 172.6±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 6.28
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1790.09
ACD/KOC (pH 5.5): 7412.17
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1733.45
ACD/KOC (pH 7.4): 7177.66
Polar Surface Area: 146 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 472.9±7.0 cm3

Click to predict properties on the Chemicalize site


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