ChemSpider 2D Image | 2',3'-O-(3-Carboxy-1-methylpropylidene)-7-methyl-7,8-dihydroguanosine 5'-(trihydrogen diphosphate) | C16H25N5O13P2

2',3'-O-(3-Carboxy-1-methylpropylidene)-7-methyl-7,8-dihydroguanosine 5'-(trihydrogen diphosphate)

  • Molecular FormulaC16H25N5O13P2
  • Average mass557.343 Da
  • Monoisotopic mass557.092407 Da
  • ChemSpider ID117537

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

2',3'-O-(3-Carboxy-1-methylpropyliden)-7-methyl-7,8-dihydroguanosin5'-(trihydrogendiphosphat) [German] [ACD/IUPAC Name]
2',3'-O-(3-Carboxy-1-methylpropylidene)-7-methyl-7,8-dihydroguanosine 5'-(trihydrogen diphosphate) [ACD/IUPAC Name]
2',3'-O-(3-Carboxy-1-méthylpropylidène)-7-méthyl-7,8-dihydroguanosine-5'-(trihydrogène diphosphate) [French] [ACD/IUPAC Name]
7,8-Dihydroguanosine, 2',3'-O-(3-carboxy-1-methylpropylidene)-7-methyl-, 5'-(trihydrogen diphosphate) [ACD/Index Name]
2',3'-O-(1-(2-Carboxyethyl)ethylidene)-7-methylguanosine 5'-diphosphate
3-[(3aR,4R,6R,6aR)-6-(2-amino-7-methyl-6-oxo-3,8-dihydropurin-9-yl)-4-[(hydroxy-phosphonooxyphosphoryl)oxymethyl]-2-methyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl]propanoic acid
79441-42-2 [RN]
Cee-mgd

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

Density: 2.2±0.1 g/cm3
Boiling Point: 812.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 128.4±6.0 kJ/mol
Flash Point: 445.3±37.1 °C
Index of Refraction: 1.791
Molar Refractivity: 109.7±0.5 cm3
#H bond acceptors: 18
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -2.00
ACD/LogD (pH 5.5): -7.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 272 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 118.5±7.0 dyne/cm
Molar Volume: 258.7±7.0 cm3

Click to predict properties on the Chemicalize site


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