ChemSpider 2D Image | Phosphoric acid 5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl ester 5-(6-amino-purin-9-yl)-4-hydroxy-2-hydroxymethyl-tetrahydro-furan-3-yl ester | C20H25N10O10P

Phosphoric acid 5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl ester 5-(6-amino-purin-9-yl)-4-hydroxy-2-hydroxymethyl-tetrahydro-furan-3-yl ester

  • Molecular FormulaC20H25N10O10P
  • Average mass596.447 Da
  • Monoisotopic mass596.149292 Da
  • ChemSpider ID228562

More details:






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

219-239-9 [EINECS]
2391-46-0 [RN]
Phosphoric acid 5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl ester 5-(6-amino-purin-9-yl)-4-hydroxy-2-hydroxymethyl-tetrahydro-furan-3-yl ester
adenylyl-(3'-->5')-adenosine
ADENYLYL(3'-5')ADENOSINE

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

NSC220333 [DBID]
NSC91555 [DBID]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 1081.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 166.2±3.0 kJ/mol
Flash Point: 607.8±37.1 °C
Index of Refraction: 1.987
Molar Refractivity: 127.0±0.5 cm3
#H bond acceptors: 20
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.25
ACD/LogD (pH 5.5): -5.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 304 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 140.4±7.0 dyne/cm
Molar Volume: 256.2±7.0 cm3

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