ChemSpider 2D Image | Adenophostin B | C18H28N5O19P3

Adenophostin B

  • Molecular FormulaC18H28N5O19P3
  • Average mass711.358 Da
  • Monoisotopic mass711.059143 Da
  • ChemSpider ID571060

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

149091-93-0 [RN]
3'-O-(6-O-Acetyl-3,4-di-O-phosphono-α-D-glucopyranosyl)adenosin2'-(dihydrogenphosphat) [German] [ACD/IUPAC Name]
3'-O-(6-O-Acetyl-3,4-di-O-phosphono-α-D-glucopyranosyl)adenosine 2'-(dihydrogen phosphate) [ACD/IUPAC Name]
3'-O-(6-O-Acétyl-3,4-di-O-phosphono-α-D-glucopyranosyl)adénosine-2'-(dihydrogène phosphate) [French] [ACD/IUPAC Name]
Adenophostin B
Adenosine, 3'-O-(6-O-acetyl-3,4-di-O-phosphono-α-D-glucopyranosyl)-, 2'-(dihydrogen phosphate) [ACD/Index Name]
[(2R,3R,4R,5R)-3-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3-hydroxy-4,5-d iphosphonooxy-oxan-2-yl]oxy-5

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

C13722 [DBID]

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

Density: 2.4±0.1 g/cm3
Boiling Point: 1120.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 172.8±3.0 kJ/mol
Flash Point: 631.6±37.1 °C
Index of Refraction: 1.812
Molar Refractivity: 130.7±0.5 cm3
#H bond acceptors: 24
#H bond donors: 10
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -3.79
ACD/LogD (pH 5.5): -10.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -13.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 394 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 141.4±7.0 dyne/cm
Molar Volume: 302.2±7.0 cm3

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