ChemSpider 2D Image | 1-[6-(1-Carboxy-2-tridecanyl)-7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-1-deoxy-5-O-phosphonopentitol | C31H47N4O11P

1-[6-(1-Carboxy-2-tridecanyl)-7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-1-deoxy-5-O-phosphonopentitol

  • Molecular FormulaC31H47N4O11P
  • Average mass682.699 Da
  • Monoisotopic mass682.297913 Da
  • ChemSpider ID1784

More details:

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

1-[6-(1-Carboxy-2-tridecanyl)-7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-1-deoxy-5-O-phosphonopentitol [ACD/IUPAC Name]
1-[6-(1-Carboxy-2-tridecanyl)-7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-1-desoxy-5-O-phosphonopentitol [German] [ACD/IUPAC Name]
1-[6-(1-Carboxy-2-tridécanyl)-7,8-diméthyl-2,4-dioxo-3,4-dihydrobenzo[g]ptéridin-10(2H)-yl]-1-désoxy-5-O-phosphonopentitol [French] [ACD/IUPAC Name]
Pentitol, 1-[6-[1-(carboxymethyl)dodecyl]-3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10(2H)-yl]-1-deoxy-, 5-(dihydrogen phosphate) [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.635
Molar Refractivity: 167.1±0.5 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 3.09
ACD/LogD (pH 5.5): -1.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 249 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 61.2±7.0 dyne/cm
Molar Volume: 466.9±7.0 cm3

Click to predict properties on the Chemicalize site


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