ChemSpider 2D Image | 3'-PHOSPHATE-ADENOSINE-5'-PHOSPHATE SULFATE | C10H15N5O13P2S

3'-PHOSPHATE-ADENOSINE-5'-PHOSPHATE SULFATE

  • Molecular FormulaC10H15N5O13P2S
  • Average mass507.264 Da
  • Monoisotopic mass506.986237 Da
  • ChemSpider ID21232567

More details:

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

3'-PHOSPHATE-ADENOSINE-5'-PHOSPHATE SULFATE
9-{5-O-[Hydroxy(sulfooxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-{5-O-[Hydroxy(sulfooxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine [ACD/IUPAC Name]
9-{5-O-[Hydroxy(sulfooxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-O-[hydroxy(sulfooxy)phosphinyl]-3-O-phosphonopentofuranosyl]- [ACD/Index Name]
[({[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]sulfonic acid
{[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxysulfonic acid

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

Density: 2.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.886
Molar Refractivity: 91.0±0.5 cm3
#H bond acceptors: 18
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.19
ACD/LogD (pH 5.5): -9.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 304 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 174.6±7.0 dyne/cm
Molar Volume: 197.7±7.0 cm3

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