ChemSpider 2D Image | 2-[({[5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}phosphinato)oxy]-6-(1,2-dihydroxyethyl)-4,5-dihydroxytetrahydro-2H-pyran-2-carboxylate | C17H24N3O15P

2-[({[5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}phosphinato)oxy]-6-(1,2-dihydroxyethyl)-4,5-dihydroxytetrahydro-2H-pyran-2-carboxylate

  • Molecular FormulaC17H24N3O15P
  • Average mass541.358 Da
  • Monoisotopic mass541.095581 Da
  • ChemSpider ID24785364

  • Charge - Charge

More details:

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

2-[({[5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}phosphinato)oxy]-6-(1,2-dihydroxyethyl)-4,5-dihydroxytetrahydro-2H-pyran-2-carboxylat [German] [ACD/IUPAC Name]
2-[({[5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}phosphinato)oxy]-6-(1,2-dihydroxyethyl)-4,5-dihydroxytetrahydro-2H-pyran-2-carboxylate [ACD/IUPAC Name]
2-[({[5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]méthoxy}phosphinato)oxy]-6-(1,2-dihydroxyéthyl)-4,5-dihydroxytétrahydro-2H-pyrane-2-carboxylate [French] [ACD/IUPAC Name]
CMP-2-dehydro-3-deoxy-D-octonate*CMP-KDO
CMP-3-deoxy-D-manno-octulosonate

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

Density:
Boiling Point: 951.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 157.1±6.0 kJ/mol
Flash Point: 529.3±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -3.29
ACD/LogD (pH 5.5): -8.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 307 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement