51953-04-9 (9H-嘌呤-6-醇 (9ci),9H-Purin-6-ol (9CI))

CAS号:
51953-04-9
中文名称:
9H-嘌呤-6-醇 (9ci)
英文名称:
9H-Purin-6-ol (9CI)
分子式:
C5H4N4O
分子量:
136.111459732056

9H-嘌呤-6-醇 (9ci)(51953-04-9)名称与标识符

名称

中文别名:
9H-嘌呤-6-醇 (9ci);
英文别名:
9H-Purin-6-ol (9CI);Hypoxanthine (VAN);Discontinued. See H998503 or H998504';AC-10518;Sarkine;CAS_790;Spectrum_001417;Spectrum3_001352;AKOS015888571;Hypoxanthine,(S);1H-Purin-6-ol (9CI);Tox21_111511;NCGC00095622-04;Purin-6(3H)-one;6(1H)-Purinone;SW219908-1;7H-Purin-6-ol;SCHEMBL1867923;AKOS005221762;146445-70-7;DB-273118;W-104648;DTXSID8045983;hypoxanthine;MFCD00005725;1,7-Dihydro-6H-purine-6-one;Spectrum5_000564;1H,7H-Hypoxanthine;4-Hydroxy-1H-purine;Didanosine impurity A,, European Pharmacopoeia (EP) Reference Standard;NS00010150;SCHEMBL17276814;SR-05000002375;EN300-37579;MERCAPTOPURINE IMPURITY, HYPOXANTHINE- [USP IMPURITY];AKOS009159101;DB04076;DB-264101;3H-Purin-6-ol;DTXCID6025983;NSC14665;NSC 129419;DB-029904;CS-0007792;7H-Purin-6-ol #;HX;PDSP1_000299;bmse000094;68-94-0;8C229956-6BE8-4F8D-91B7-0AD1EC294077;Hypoxanthine, powder, BioReagent, suitable for cell culture;6-Hydroxy-1H-purine;1vfn;DIDANOSINE IMPURITY A;SpecPlus_000461;Tox21_111511_1;6-Hydroxypurine; Purin-6-ol; Sarcine;6,7-dihydro-1H-purin-6-one;EINECS 200-697-3;3H-Purin-6(9H)-one;1,9-dihydro-6H-purin-6-one;PS-3167;BDBM82018;Spectrum4_001742;SCHEMBL25381;6-Hydroxypurine;purin-6(1H)-on;1,7-Dihydro-6H-purin-6-one;KBioGR_002184;SY012477;DivK1c_006557;2TN51YD919;Purine-6-ol;NSC-14665;6H-Purin-6-one, 1,7-dihydro-;95121-06-5;1,9-Dihydro-purin-6-one;6H-Purin-6-one, 1,9-dihydro-;DB-273114;1h-purin-6-ol;Sarcine;3h-hypoxanthine;Hypoxanthine (VAN) (8CI);C00262;KBioSS_001897;KBio2_001897;6-Oxopurine;146469-94-5;UNII-2TN51YD919;KBio2_007033;Purin-6(1H)-one;Sarcine;Purin-6-ol;AG-670/31547063;1,9-dihydropurin-6-one;GTPL4555;9H-Purin-6-ol (VAN);9H-Purin-6-ol;H0311;DB-273292;1a9q;3,7-dihydropurin-6-one;Hypoxanthine, >=99.0%;SDCCGMLS-0065594.P001;Purin-6-ol;CAS-68-94-0;AC-32451;6H-Purin-6-one, 3,9-dihydro-;AB00674258-01;6,7-dihydro-3H-purin-6-one;SDCCGMLS-0065594.P002;Sarkin;AI3-52242;BSPBio_003163;Hypoxanthine enol;Spectrum2_001907;6H-Purin-6-one, 3,7-dihydro- (9CI);Discontinued. See H998503 or H998504;244769-71-9;6H-Purin-6-one, 3,7-dihydro-;AZATHIOPRINE IMPURITY F [EP IMPURITY];F1386-0269;InChI=1/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10);CHEMBL1427;SR-05000002375-1;Epitope ID:167471;Q410305;146469-95-6;FDGQSTZJBFJUBT-UHFFFAOYSA-;HY-N0091;Hypoxsanthine (1,7-Dihydro-6H-purin-6-one);s2424;NSC_790;1H-Purin-6(9H)-one;9H-Purin-6(1H)-one;1,7-Dihydro-6H-purin-6-one (Hypoxanthine);DIDANOSINE IMPURITY A [EP IMPURITY];SPECTRUM310023;Hypoxanthine, Vetec(TM) reagent grade, 98%;HYPOXANTHINE [WHO-DD];Mercaptopurine impurity A CRS;STK804424;NCGC00095622-01;KBio1_001501;146469-96-7;CCG-38478;1246820-04-1;Z1954805546;KBio2_004465;BCP22929;AKOS022168213;MERCAPTOPURINE IMPURITY, HYPOXANTHINE- [EP IMPURITY];51953-23-2;CHEBI:17368;DB-325530;6-hydroxypurin;51953-04-9;HYPOXANTHINE [MI];SPBio_001874;KBio3_002383;AKOS000267572;PDSP2_000297;3nrz;NSC 14665;

标识符

InChIKey:
FDGQSTZJBFJUBT-UHFFFAOYSA-N
Inchi:
1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
SMILES:
O=C1C2=C(N=CN1)N=CN2

9H-嘌呤-6-醇 (9ci)(51953-04-9)物化性质

实验特性

  • LogP : -1.11

计算特性

  • 精确分子量 : 136.03851076g/mol
  • 氢键供体数量 : 2
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 0
  • 同位素质量 : 136.03851076g/mol
  • 重原子数量 : 10
  • 复杂度 : 190
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : -0.5
  • 拓扑分子极性表面积 : 70.1Ų

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