ChemSpider 2D Image | 5'-O-{[({[2-({[5-(DIMETHYLAMINO)NAPHTHALEN-1-YL]SULFONYL}AMINO)ETHYL]OXY}PHOSPHINATO)OXY]PHOSPHINATO}CYT | C23H31N5O13P2S

5'-O-{[({[2-({[5-(DIMETHYLAMINO)NAPHTHALEN-1-YL]SULFONYL}AMINO)ETHYL]OXY}PHOSPHINATO)OXY]PHOSPHINATO}CYT

  • Molecular FormulaC23H31N5O13P2S
  • Average mass679.531 Da
  • Monoisotopic mass679.111450 Da
  • ChemSpider ID4810235

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5'-O-[(S)-{[(R)-[2-({[5-(Dimethylamino)-1-naphthyl]sulfonyl}amino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidin [German] [ACD/IUPAC Name]
5'-O-[(S)-{[(R)-[2-({[5-(Dimethylamino)-1-naphthyl]sulfonyl}amino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine [ACD/IUPAC Name]
5'-O-[(S)-{[(R)-[2-({[5-(Diméthylamino)-1-naphtyl]sulfonyl}amino)éthoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine [French] [ACD/IUPAC Name]
5'-O-{[({[2-({[5-(DIMETHYLAMINO)NAPHTHALEN-1-YL]SULFONYL}AMINO)ETHYL]OXY}PHOSPHINATO)OXY]PHOSPHINATO}CYT
Cytidine, 5'-O-[(S)-[[(R)-[2-[[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]amino]ethoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]- [ACD/Index Name]
2AA

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

Density: 1.8±0.1 g/cm3
Boiling Point: 912.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.9±3.0 kJ/mol
Flash Point: 505.4±37.1 °C
Index of Refraction: 1.708
Molar Refractivity: 148.9±0.5 cm3
#H bond acceptors: 18
#H bond donors: 7
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -0.92
ACD/LogD (pH 5.5): -6.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 288 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 86.6±7.0 dyne/cm
Molar Volume: 381.9±7.0 cm3

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