ChemSpider 2D Image | 5'-O-[Hydroxy({hydroxy[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)ethoxy]phosphoryl}methyl)phosphoryl]adenosine | C23H29N5O13P2

5'-O-[Hydroxy({hydroxy[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)ethoxy]phosphoryl}methyl)phosphoryl]adenosine

  • Molecular FormulaC23H29N5O13P2
  • Average mass645.450 Da
  • Monoisotopic mass645.123718 Da
  • ChemSpider ID419199

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

{[5-(6-AMINO-PURIN-7-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YLMETHOXY]-HYDROXY-PHOSPHORYLMETHYL}-PHOSPHONIC ACID MONO-[2-(4-HYDROXY-6-METHOXY-7-METHYL-3-OXO-1,3-DIHYDRO-ISOBENZOFURAN-5-YL)-ETHYL] ESTER
5'-O-[Hydroxy({hydroxy[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)ethoxy]phosphoryl}methyl)phosphoryl]adenosin [German] [ACD/IUPAC Name]
5'-O-[Hydroxy({hydroxy[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)ethoxy]phosphoryl}methyl)phosphoryl]adenosine [ACD/IUPAC Name]
5'-O-[Hydroxy({hydroxy[2-(4-hydroxy-6-méthoxy-7-méthyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)éthoxy]phosphoryl}méthyl)phosphoryl]adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[[[[2-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)ethoxy]hydroxyphosphinyl]methyl]hydroxyphosphinyl]- [ACD/Index Name]
C2-MAD
C2-MYCOPHENOLIC ADENINE DINUCLEOTIDE
C2-Mycophenolic Adenine Dinucleotide (C2-MDA)
MYD

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

AIDS088899 [DBID]
AIDS-088899 [DBID]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 1064.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 163.4±3.0 kJ/mol
Flash Point: 597.7±37.1 °C
Index of Refraction: 1.773
Molar Refractivity: 137.9±0.5 cm3
#H bond acceptors: 18
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -1.37
ACD/LogD (pH 5.5): -5.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 288 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 97.5±7.0 dyne/cm
Molar Volume: 330.9±7.0 cm3

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