ChemSpider 2D Image | (3R,5R,8R,10E)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]-3,5,8-trihydroxy-10-methyl-9-oxo-2,4,6-trioxa-11-aza-3,5-diphosphatridec-10-en-13-oic acid 3,5-dioxide (non -preferred name) | C17H24N6O14P2

(3R,5R,8R,10E)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]-3,5,8-trihydroxy-10-methyl-9-oxo-2,4,6-trioxa-11-aza-3,5-diphosphatridec-10-en-13-oic acid 3,5-dioxide (non -preferred name)

  • Molecular FormulaC17H24N6O14P2
  • Average mass598.352 Da
  • Monoisotopic mass598.082581 Da
  • ChemSpider ID59053437

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3R,5R,8R,10E)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]-3,5,8-trihydroxy-10-methyl-9-oxo-2,4,6-trioxa-11-aza-3,5-diphosphatridec-10-en-13-oic acid 3,5-dioxide (non -preferred name) [ACD/IUPAC Name]
(3R,5R,8R,10E)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]-3,5,8-trihydroxy-10-methyl-9-oxo-2,4,6-trioxa-11-aza-3,5-diphosphatridec-10-en-13-säure-3,5-dioxid (non-pre ferred name) [German] [ACD/IUPAC Name]
Acide (3R,5R,8R,10E) 3,5-dioxyde de 1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]-3,5,8-trihydroxy-10-méthyl-9-oxo-2,4,6-trioxa-11-aza-3,5-diphosphatridéc-10-én-13-oïqu e (non-preferred name) [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[(R)-[[(R)-[[(2R,4E)-4-[(carboxymethyl)imino]-2-hydroxy-3-oxopentyl]oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]- [ACD/Index Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 969.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.0±3.0 kJ/mol
Flash Point: 540.2±37.1 °C
Index of Refraction: 1.773
Molar Refractivity: 118.9±0.5 cm3
#H bond acceptors: 20
#H bond donors: 8
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -3.07
ACD/LogD (pH 5.5): -8.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 328 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 116.4±7.0 dyne/cm
Molar Volume: 285.3±7.0 cm3

Click to predict properties on the Chemicalize site


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