ChemSpider 2D Image | 9-{3-O-Phosphonato-5-O-[(sulfonatooxy)phosphinato]pentofuranosyl}-9H-purin-6-amine | C10H11N5O13P2S

9-{3-O-Phosphonato-5-O-[(sulfonatooxy)phosphinato]pentofuranosyl}-9H-purin-6-amine

  • Molecular FormulaC10H11N5O13P2S
  • Average mass503.235 Da
  • Monoisotopic mass502.957123 Da
  • ChemSpider ID3628121

  • Charge - Charge

More details:

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

9-{3-O-Phosphonato-5-O-[(sulfonatooxy)phosphinato]pentofuranosyl}-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-{3-O-Phosphonato-5-O-[(sulfonatooxy)phosphinato]pentofuranosyl}-9H-purin-6-amine [ACD/IUPAC Name]
9-{3-O-Phosphonato-5-O-[(sulfonatooxy)phosphinato]pentofuranosyl}-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-O-[hydroxy(sulfooxy)phosphinyl]-3-O-phosphonopentofuranosyl]-, ion(4-) [ACD/Index Name]
PAPS*phosphoadenosine phosphosulfate*3'-phosphoadenosine-5'-phosphosulfate*3'-phosphoadenylyl-sulfate
phosphoadenosine-5'-phosphosulfate

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#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: 315 Å2
Polarizability:
Surface Tension:
Molar Volume:

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