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Predicted properties of the compound entered.

ID GFYLSDSUCHVORB-JOLDIKRXSA-N
Formula C11H15N5O4
IUPAC Name (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-1-methyl-6,9-dihydro-1H-purin-9-yl)oxolane-3,4-diol
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3/b12-9-/t5-,7-,8-,11-/m1/s1
Standard InChIKey (User Input) InChIKey=GFYLSDSUCHVORB-JOLDIKRXSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-1-methylpurin-9-yl)oxolane-3,4-diol | (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-1-methyl-purin-9-yl)tetrahydrofuran-3,4-diol | (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-1-methyl-9-purinyl)tetrahydrofuran-3,4-diol | (2R,3R,4S,5R)-2-(6-imino-1-methyl-purin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol | (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-1-methyl-purin-9-yl)oxolane-3,4-diol | 15763-06-1 | 1-Methyladenosine | Adenosine, 1-methyl- (VAN) (8CI) | Adenosine, N,6-didehydro-1,6-dihydro-1-methyl- (9CI) | N,6-DIDEHYDRO-1,6-DIHYDRO-1-METHYLADENOSINE | N1-Methyladenosine | NSC 92165 | Adenosine, 1-methyl- | NCGC00163305-01 | C02494 | AIDS-024334 | AIDS024334
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Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
Acentric Factor - - -
Critical Compressibility Factor - - -
Critical Pressure - - -
Critical Temperature - - -
Critical Volume - - -
Enthalpy of Formation for Ideal Gas at 298.15K - - -
Liquid Molar Volume at 298.15K - - -
Molecular Weight - - -
Net Standard State Enthalpy of Combustion at 298.15K - - -
Normal Boiling Point - - -
Melting Point - - -
Refractive Index - - -
Solubility Parameter at 298.15K - - -
Standard State Absolute Entropy at 298.15K and 1bar - - -
Standard State Enthalpy of Formation at 298.15K and 1bar - - -
Magnetic Susceptibility - - -
Polarizability - - -
Flash Point - - -
Parachor - - -
Lower Flammability Limit Temperature - - -
Lower Flammability Limit Volume Percent - - -
Upper Flammability Limit Temperature - - -
Upper Flammability Limit Volume Percent - - -
Liquid Density at Normal Boiling Point - - -
Heat of Vaporization at 298.15K - - -
Heat of Vaporization at Normal Boiling Point - - -
Water Solubility - - -
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1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
All prediction -