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An Entity of Type : owl:Thing, within Data Space : linked.opendata.cz associated with source document(s)

AttributesValues
http://linked.open...nk/propertySource
  • ALOGPS
  • ChemAxon
  • PhysProp
http://linked.open...ank/propertyValue
  • 0
  • 1
  • 3
  • 9
  • 0.94
  • (2R)-2-amino-1-({[(2S,3R,4R,5R)-5-[(4S)-6-amino-1,4-dihydropurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxysulfonyl}amino)-2-[2-(methylsulfanyl)ethyl]ethanone
  • CC[C@@H](C)[C@H](NCC1=C(O)C(C)=NC=C1COP(O)(O)=O)C(O)=O
  • -2.6
  • 149.1451
  • 195.100776675
  • 241 °C
  • InChIKey=RDOIQAHITMMDAJ-UHFFFAOYSA-N
  • C[C@H](CCCC(C)(C)O)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
  • (2S)-2-({4-[(1R)-2-(2-amino-4-hydroxyquinazolin-6-yl)-1-carboxyethyl]phenyl}formamido)pentanedioic acid
  • InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3
is http://linked.open...ugbank/IUPAC-Name of
is http://linked.open...gy/drugbank/InChI of
is http://linked.open.../Molecular-Weight of
is http://linked.open...noisotopic-Weight of
is http://linked.open...y/drugbank/SMILES of
is http://linked.open...ogy/drugbank/logP of
is http://linked.open...ogy/drugbank/logS of
is http://linked.open...nd-Acceptor-Count of
is http://linked.open...-Bond-Donor-Count of
is http://linked.open...drugbank/InChIKey of
is http://linked.open...ank/Boiling-Point of
is http://linked.open...nk/MDDR-Like-Rule of
is http://linked.open...bank/Rule-of-Five of
is http://linked.open...tional-IUPAC-Name of
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