ChemSpider 2D Image | N(omega)-(ADP-D-ribosyl)-L-arginine | C21H35N9O15P2

N(ω)-(ADP-D-ribosyl)-L-arginine

  • Molecular FormulaC21H35N9O15P2
  • Average mass715.501 Da
  • Monoisotopic mass715.172791 Da
  • ChemSpider ID26330539

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2S)-2-Amino-5-{N'-[(2S,3R,4S,5R)-5-({[{[{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrah ydro-2-furanyl]carbamimidamido}pentanoic acid [ACD/IUPAC Name]
(2S)-2-Amino-5-{N'-[(2S,3R,4S,5R)-5-({[{[{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrah ydro-2-furanyl]carbamimidamido}pentansäure [German] [ACD/IUPAC Name]
103960-56-1 [RN]
Acide (2S)-2-amino-5-{N'-[(2S,3R,4S,5R)-5-({[{[{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}méthyl)-3,4-dihydroxy tétrahydro-2-furanyl]carbamimidamido}pentanoïque [French] [ACD/IUPAC Name]
N(ω)-(ADP-D-ribosyl)-L-arginine
(2S)-2-amino-5-[[amino-[[(2S,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]amino]methylidene]amino]pentanoic acid
adenosine 5'-{3-[1-(N(ω)-arginino)-1-deoxy-α-D-ribofuranos-5-yl] dihydrogen diphosphate}
ADP-Ribosylarginine
Nω-(ADP-D-ribosyl)-L-arginine

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

D5024CP23U [DBID]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 1066.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 163.7±3.0 kJ/mol
Flash Point: 599.0±37.1 °C
Index of Refraction: 1.830
Molar Refractivity: 143.3±0.5 cm3
#H bond acceptors: 24
#H bond donors: 14
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -3.56
ACD/LogD (pH 5.5): -8.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 402 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 128.1±7.0 dyne/cm
Molar Volume: 326.2±7.0 cm3

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