ChemSpider 2D Image | (2S)-2-{[{[(2R,3S,4R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]amino}-3-(1H-indol-3-yl)propanoic acid | C20H24N5O9P

(2S)-2-{[{[(2R,3S,4R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]amino}-3-(1H-indol-3-yl)propanoic acid

  • Molecular FormulaC20H24N5O9P
  • Average mass509.406 Da
  • Monoisotopic mass509.131165 Da
  • ChemSpider ID24658357

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(2S)-2-{[{[(2R,3S,4R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]amino}-3-(1H-indol-3-yl)propanoic acid [ACD/IUPAC Name]
(2S)-2-{[{[(2R,3S,4R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]amino}-3-(1H-indol-3-yl)propansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-{[{[(2R,3S,4R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]méthoxy}(hydroxy)phosphoryl]amino}-3-(1H-indol-3-yl)propanoïque [French] [ACD/IUPAC Name]
Cytidine, 5'-O-[[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]hydroxyphosphinyl]- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 868.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.3±3.0 kJ/mol
Flash Point: 479.2±37.1 °C
Index of Refraction: 1.774
Molar Refractivity: 115.2±0.5 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -1.25
ACD/LogD (pH 5.5): -5.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 230 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 93.3±7.0 dyne/cm
Molar Volume: 276.2±7.0 cm3

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