Found 1 result

Search term: MF = 'C_{21}H_{21}N_{5}O_{11}P_{2}'

ChemSpider 2D Image | 3'-O-1-Naphthoyladenosine 5'-(trihydrogen diphosphate) | C21H21N5O11P2

3'-O-1-Naphthoyladenosine 5'-(trihydrogen diphosphate)

  • Molecular FormulaC21H21N5O11P2
  • Average mass581.366 Da
  • Monoisotopic mass581.071289 Da
  • ChemSpider ID115382
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

3'-O-1-Naphthoyladenosin5'-(trihydrogendiphosphat) [German] [ACD/IUPAC Name]
3'-O-1-Naphthoyladenosine 5'-(trihydrogen diphosphate) [ACD/IUPAC Name]
3'-O-1-Naphtoyladénosine-5'-(trihydrogène diphosphate) [French] [ACD/IUPAC Name]
Adenosine, 3'-O-(1-naphthalenylcarbonyl)-, 5'-(trihydrogen diphosphate) [ACD/Index Name]
3-NP-ADP
3'-O-(Naphthoyl-1)adenosine diphosphate
71160-02-6 [RN]
Adenosine 5'-(trihydrogen diphosphate), 3'-(1-naphthalenecarboxylate)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.0±0.1 g/cm3
Boiling Point: 946.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.4±3.0 kJ/mol
Flash Point: 526.5±37.1 °C
Index of Refraction: 1.799
Molar Refractivity: 126.8±0.5 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 0.68
ACD/LogD (pH 5.5): -5.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 258 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 106.0±7.0 dyne/cm
Molar Volume: 296.9±7.0 cm3

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