ChemSpider 2D Image | Adenophostin A | C16H26N5O18P3

Adenophostin A

  • Molecular FormulaC16H26N5O18P3
  • Average mass669.322 Da
  • Monoisotopic mass669.048584 Da
  • ChemSpider ID110268

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

149091-92-9 [RN]
3'-O-(3,4-Di-O-phosphono-α-D-glucopyranosyl)adenosin2'-(dihydrogenphosphat) [German] [ACD/IUPAC Name]
3'-O-(3,4-di-O-phosphono-α-D-glucopyranosyl)adenosine 2'-(dihydrogen phosphate) [ACD/IUPAC Name]
3'-O-(3,4-Di-O-phosphono-α-D-glucopyranosyl)adenosine dihydrogen phosphate
3'-O-(3,4-Di-O-phosphono-α-D-glucopyranosyl)adénosine-2'-(dihydrogène phosphate) [French] [ACD/IUPAC Name]
Adenophostin A
Adenosine, 3'-O-(3,4-di-O-phosphono-α-D-glucopyranosyl)-, 2'-(dihydrogen phosphate) [ACD/Index Name]
{[(2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-4-{[(2R,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-bis(phosphonooxy)oxan-2-yl]oxy}-5-(hydroxymethyl)oxolan-3-yl]oxy}phosphonic acid
2'-Adenylic acid, 3'-O-(3,4-di-O-phosphono-α-D-glucopyranosyl)-
2'-Adenylic acid,3'-O-(3,4-di-O-phosphono-a-D-glucopyranosyl)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C13727 [DBID]

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

Density: 2.5±0.1 g/cm3
Boiling Point: 1155.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 178.7±3.0 kJ/mol
Flash Point: 652.7±37.1 °C
Index of Refraction: 1.870
Molar Refractivity: 120.3±0.5 cm3
#H bond acceptors: 23
#H bond donors: 11
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -4.21
ACD/LogD (pH 5.5): -11.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -14.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 388 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 168.4±7.0 dyne/cm
Molar Volume: 264.6±7.0 cm3

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