ChemSpider 2D Image | [(2S,3S,4R,5R)-3-Amino-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-4-hydroxytetrahydro-2-furanyl]methyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl hydrogen phosphate (no
n-preferred name) | C19H26N9O10P

[(2S,3S,4R,5R)-3-Amino-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-4-hydroxytetrahydro-2-furanyl]methyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl hydrogen phosphate (no n-preferred name)

  • Molecular FormulaC19H26N9O10P
  • Average mass571.438 Da
  • Monoisotopic mass571.154053 Da
  • ChemSpider ID168650
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

[(2S,3S,4R,5R)-3-Amino-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-4-hydroxytetrahydro-2-furanyl]methyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl hydrogen phosphate (no n-preferred name) [ACD/IUPAC Name]
[(2S,3S,4R,5R)-3-Amino-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-4-hydroxytetrahydro-2-furanyl]methyl-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methylhydrogenphosphat (non-p referred name) [German] [ACD/IUPAC Name]
Hydrogénophosphate de [(2S,3S,4R,5R)-3-amino-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-4-hydroxytétrahydro-2-furanyl]méthyle et de [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl] méthyle [French] [ACD/IUPAC Name]
3'-Deoxy-3'-aminocytidylyl(3'-5')adenosine
70834-14-9 [RN]
Adenosine, 3'-amino-3'-deoxycytidylyl-(3'-5')-
C(3'NH)pA

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.2±0.1 g/cm3
Boiling Point: 970.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.1±3.0 kJ/mol
Flash Point: 540.8±37.1 °C
Index of Refraction: 1.918
Molar Refractivity: 120.8±0.5 cm3
#H bond acceptors: 19
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -2.90
ACD/LogD (pH 5.5): -6.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 299 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 130.6±7.0 dyne/cm
Molar Volume: 256.1±7.0 cm3

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