ChemSpider 2D Image | (2R,3S,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydro-3-furanyl [(2R,3S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methyl hydrogen (S)-phosphate | C19H25N8O10P

(2R,3S,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydro-3-furanyl [(2R,3S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methyl hydrogen (S)-phosphate

  • Molecular FormulaC19H25N8O10P
  • Average mass556.423 Da
  • Monoisotopic mass556.143127 Da
  • ChemSpider ID147050

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,3S,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydro-3-furanyl [(2R,3S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methyl hydrogen (S)-phosphate [ACD/IUPAC Name]
(2R,3S,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydro-3-furanyl-[(2R,3S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methylhydrogen(S)-phosphat (n on-preferred name) [German] [ACD/IUPAC Name]
Hydrogéno(S)-phosphate de (2R,3S,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-(hydroxyméthyl)tétrahydro-3-furanyle et de [(2R,3S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3-hydroxytétrahydro-2-fura nyl]méthyle [French] [ACD/IUPAC Name]
23405-83-6 [RN]
2'-Deoxyguanylyl-(3'-5')-2'-deoxycytidine
81305-46-6 [RN]
d(Gpc)
Guanosine, 2'-deoxycytidylyl-(5'-3')-2'-deoxy-

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

23405-83-6,81305-46-6 [DBID]
CCRIS 8681 [DBID]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 963.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.0±3.0 kJ/mol
Flash Point: 536.5±37.1 °C
Index of Refraction: 1.881
Molar Refractivity: 118.8±0.5 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.73
ACD/LogD (pH 5.5): -7.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 268 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 120.0±7.0 dyne/cm
Molar Volume: 259.4±7.0 cm3

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