ChemSpider 2D Image | 5'-O-[(S)-{[(S)-{[(5aR,8R,9aR)-2-Amino-4-oxo-6,7-disulfido-3,4,4a,5,5a,8,9a,10-octahydro-2H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine | C19H26N8O13P2S2

5'-O-[(S)-{[(S)-{[(5aR,8R,9aR)-2-Amino-4-oxo-6,7-disulfido-3,4,4a,5,5a,8,9a,10-octahydro-2H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine

  • Molecular FormulaC19H26N8O13P2S2
  • Average mass700.534 Da
  • Monoisotopic mass700.054688 Da
  • ChemSpider ID394426

  • Charge - Charge

    defined stereocentres - 7 of 9 defined stereocentres

More details:

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

5'-O-[(S)-{[(S)-{[(5aR,8R,9aR)-2-Amino-4-oxo-6,7-disulfido-3,4,4a,5,5a,8,9a,10-octahydro-2H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidin [German] [ACD/IUPAC Name]
5'-O-[(S)-{[(S)-{[(5aR,8R,9aR)-2-Amino-4-oxo-6,7-disulfido-3,4,4a,5,5a,8,9a,10-octahydro-2H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine [ACD/IUPAC Name]
5'-O-[(S)-{[(S)-{[(5aR,8R,9aR)-2-Amino-4-oxo-6,7-disulfydo-3,4,4a,5,5a,8,9a,10-octahydro-2H-pyrano[3,2-g]ptéridin-8-yl]méthoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine [French] [ACD/IUPAC Name]
Cytidine, 5'-O-[(S)-[[(S)-[[(5aR,8R,9aR)-2-amino-3,4,4a,5,5a,8,9a,10-octahydro-6,7-dimercapto-4-oxo-2H-pyrano[3,2-g]pteridin-8-yl]methoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-, ion(2-) [ACD/Index Name]
MCN

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: 21
#H bond donors: 11
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.54
ACD/LogD (pH 5.5): -5.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 331 Å2
Polarizability:
Surface Tension:
Molar Volume:

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