ChemSpider 2D Image | 2-[[5-[[[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]amino]-5-guanidino-pentanoic acid | C21H35N9O15P2

2-[[5-[[[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]amino]-5-guanidino-pentanoic acid

  • Molecular FormulaC21H35N9O15P2
  • Average mass715.501 Da
  • Monoisotopic mass715.172791 Da
  • ChemSpider ID112264

More details:

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

2-[[5-[[[[5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL]OXY-HYDROXY-PHOSPHORYL]OXYMETHYL]-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL]AMINO]-5-GUANIDINO-PENTANOIC ACID
71388-78-8 [RN]
74186-18-8 [RN]
ADP-Ribose-arg
ADP-Ribosylarginine
Arginine(ADP-ribose)

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

Density: 2.2±0.1 g/cm3
Boiling Point: 1119.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 172.6±3.0 kJ/mol
Flash Point: 630.7±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: 16
#Rule of 5 Violations: 3
ACD/LogP: -3.76
ACD/LogD (pH 5.5): -8.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 405 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 128.1±7.0 dyne/cm
Molar Volume: 326.2±7.0 cm3

Click to predict properties on the Chemicalize site


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