methyl 2-(6-amino-9...

methyl 2-(6-amino-9H-purin-9-yl)-2-deoxypentofuranoside(CAS No. 55073-81-9)

methyl 2-(6-amino-9H-purin-9-yl)-2-deoxypentofuranoside(CAS No. 55073-81-9)

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Keywords

4-(6-aminopurin-9-yl)-2-(hydroxymethyl)-5-methoxy-oxolan-3-ol 55073-81-9 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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  • ProductionCapacity:100|Kilogram|Month
  • Storage:Room Temperature
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Details:

【Name】
methyl 2-(6-amino-9H-purin-9-yl)-2-deoxypentofuranoside
【Iupac name】
4-(6-aminopurin-9-yl)-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
【CAS Registry number】
55073-81-9
【Synonyms】
NSC217350
AC1L8K4W
ZINC01755094
NSC-217350
4-(6-aminopurin-9-yl)-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
55073-81-9
【Molecular Formula】
C11H15N5O4 (Products with the same molecular formula)
【Molecular Weight】
281.2679
【Inchi】
InChI=1/C11H15N5O4/c1-19-11-7(8(18)5(2-17)20-11)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)
【Canonical SMILES】
COC1C(C(C(O1)CO)O)N2C=NC3=C2N=CN=C3N
Chemical and Physical Properties
【Density】
1.84g/cm3
【Boiling Point】
623.8°C at 760 mmHg
【Refractive Index】
1.794
【Flash Point】
331°C
【Computed Properties】
Molecular Weight:281.2679 [g/mol]
Molecular Formula:C11H15N5O4
XLogP3:-0.5
H-Bond Donor:3
H-Bond Acceptor:4
Rotatable Bond Count:3
Tautomer Count:3
Exact Mass:281.112404
MonoIsotopic Mass:281.112404
Topological Polar Surface Area:129
Heavy Atom Count:20
Formal Charge:0
Complexity:349
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:4
Feature 3D Donor Count:3
Feature 3D Cation Count:4
Feature 3D Ring Count:3
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:229

 

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