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  2. 68892-42-2
N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-oxo-1H-purin-2-yl]-2-methyl-propanamide | 68892-42-2

Product name:N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-oxo-1H-purin-2-yl]-2-methyl-propanamide

CAS No:68892-42-2
MF:C14H19N5O5
MW:337.3312
MDL:MFCD00010060
CID:58887
PubChem ID:87559699
Names and Identifiers
  • N2-Isobutyryl-2'-deoxyguanosine
  • 2'-Deoxy-N-(2-methyl-1-oxopropyl)-guanosine
  • dG-Ibu
  • N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide
  • N2-Isobutyryl-2′-deoxyguanosine
  • 2-N-Isobutyryl-2'-deoxyguanosine
  • N-Isobutyryldeoxyguanosine
  • N2-Isobutyryldeoxyguanosine
  • Guanosine, 2'-deoxy-N-(2-methyl-1-oxopropyl)-
  • N-IB-DG
  • SIDXEQFMTMICKG-DJLDLDEBSA-
  • C14H19N5O5
  • 2'-Deoxy-N2-isobutyrylguanosine
  • 2-N-isobutyryldeoxyguanosine
  • KSC628M0L
  • 2'-Deoxy-N-isobutyrylguanosine
  • 2-Deoxy-N2-isobutyrylguanosine
  • 2-N-isobutyryl-2
  • N2-Isobutyryl-2-deoxyguanosine
  • P950
  • ST085106
  • I0700
  • Guanosin
  • N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-oxo-1H-purin-2-yl]-2-methyl-propanamide
  • 2-N-isobutyryl-2'-deoxyguanosine
  • n-isobutyryl-2'-deoxyguanosine
  • 68892-42-2
  • MFCD00010060
  • CS-W016727
  • A836284
  • AC-32162
  • A807925
  • N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-3H-purin-2-yl]-2-
  • SIDXEQFMTMICKG-DJLDLDEBSA-N
  • AKOS024285522
  • T72829
  • N2-Isobutyl-deoxyguanosine
  • DTXSID90218970
  • SCHEMBL264545
  • N-(9-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6-oxo-6,9-dihydro-1H-purin-2-yl)isobutyramide
  • N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
  • FS-4743
  • AKOS015837632
  • BP-58860
  • MDL:MFCD00010060
  • InChIKey:SIDXEQFMTMICKG-DJLDLDEBSA-N
  • Inchi:1S/C14H19N5O5/c1-6(2)12(22)17-14-16-11-10(13(23)18-14)15-5-19(11)9-3-7(21)8(4-20)24-9/h5-9,20-21H,3-4H2,1-2H3,(H2,16,17,18,22,23)/t7-,8+,9+/m0/s1
  • SMILES:O1[C@]([H])(C([H])([H])O[H])[C@]([H])(C([H])([H])[C@]1([H])N1C([H])=NC2C(N([H])C(N([H])C(C([H])(C([H])([H])[H])C([H])([H])[H])=O)=NC1=2)=O)O[H]
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 337.13900
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 7
  • Rotatable Bond Count: 4
  • Monoisotopic Mass: 337.13861872g/mol
  • Heavy Atom Count: 24
  • Complexity: 554
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: 0.3
  • Tautomer Count: 22
  • Surface Charge: 0
  • Topological Polar Surface Area: 138

Experimental Properties

  • LogP: -0.57220
  • PSA: 142.36000
  • Boiling Point: 714.2±70.0 °C at 760 mmHg
  • Melting Point: 300°C(dec.)(lit.)
  • Flash Point: 385.7±35.7 °C
  • Color/Form: White crystals.
  • Solubility: Not determined
  • Density: 2.5400
Security Information
  • WGK Germany:3
  • Safety Term:S22;S24/25
  • Safety Instruction:S22-S24/25
  • Hazard Statement:H302-H315-H319-H335
  • Warning Statement:P264Thoroughly clean after treatment+P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask+P305If it enters the eyes+P351Rinse carefully with water for a few minutes+P338Remove the contact lens(If any)And easy to operate,Continue flushing+P337If eye irritation persists+P313Obtain medical advice/care
  • Storage Condition:<0°C
  • Signal Word:warning
  • FLUKA BRAND F CODES:1-3-10
Customs Data
  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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