688007-26-3 (4-氨基-1-[3,4-二羟基-5-(羟甲基)四氢呋喃-2-基]嘧啶-2(1H)-酮,4-amino-1-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl-1,2-dihydropyrimidin-2-one)

CAS号:
688007-26-3
中文名称:
4-氨基-1-[3,4-二羟基-5-(羟甲基)四氢呋喃-2-基]嘧啶-2(1H)-酮
英文名称:
4-amino-1-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl-1,2-dihydropyrimidin-2-one
分子式:
C9H13N3O5
分子量:
243.2166

4-氨基-1-[3,4-二羟基-5-(羟甲基)四氢呋喃-2-基]嘧啶-2(1H)-酮(688007-26-3)名称与标识符

名称

英文别名:
4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;Cytarabin;Cytosar;.beta.-Arabinosylcytosine;.beta.-Cytosine arabinoside;.beta.-D-Arabinosylcytosine;Cytosine-.beta.-arabinoside;Arabinofuranosylcytosine;Aracytidine;Cytarabinoside;Spongocytidine;1.beta.-D-Arabinosylcytosine;Alexan;MLS003389283;Cytosine, .beta.-D-arabinoside;1.beta.-Arabinofuranasylcytosine;Arabinosylcytosine;4-amino-1-pentofuranosylpyrimidin-2(1H)-one;Cytosine arabinose;1.beta.-D-Arabinofuranosylcytosine;4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-;4-amino-1-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl-1,2-dihydropyrimidin-2-one;Cytosine .beta.-D-arabinoside;HMS3655P13;CYTARABINE, Cytarabine (Cytosine 1-b-D-arabinofuranoside), CYTIDINE;2(1H)-Pyrimidinone, 4-amino-1.beta.-D-ribofuranosyl-;UHDGCWIWMRVCDJ-UHFFFAOYSA-N;SY005417;4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;EN300-1073140;Cytarabine-13C3;1.beta.-Ribofuranosylcytosine;Cytosine-.beta.-D-arabinofuranoside;Cytidine-5,6-d2;4-Amino-1-arabinofuranosyl-2-oxo-1,2-dihydropyrimidine;NSC20258;Cylocide;1-Arabinofuranosylcytosine;Cytosine, 1-.beta.-D-ribofuranosyl-;4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;688007-26-3;L001298;NCGC00015258-02;HMS3393K19;Cytosine beta-D-arabinofuranoside hydrochloride;Cytosine Arabinoside hydrochloride;Ara-C hydrochloride;4-Amino-1.beta.-D-ribofuranosyl-2(1H)-pyrimidinone;40632-25-5;SMR001549941;MLS002702869;Cytosine beta-D-arabinofuranoside;Cytosine Arabinoside;Ara-C;Cytosine, 1-.beta.-D-arabinofuranosyl-;1-.beta.-D-Arabinofuranosylcytosine;NCGC00094638-02;NSC287459;NCGC00015258-03;FT-0774114;[2'-13C]CYTIDINE;HMS664K11;2(1H)-Pyrimidinone, 4-amino-1-.beta.-D-ribofuranosyl-;AB01273973-01;1-.beta.-Arabinofuranosylcytosine;Cytosine beta-D-riboside;Cytosine-1-beta-D-ribofuranoside;.beta.-D-Ribofuranoside, cytosine-1;U 19920;HMS3428O03;AS-12090;1-.beta.-D-Arabinofaranosylcytosine;1-.beta.-D-Arabinofuranosyl-4-amino-2(1H)pyrimidinone;NCGC00015258-04;4-Amino-1-(3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one;DTXSID80859078;CHEMBL78;AC 1075;NCI-C04728;478511-21-6;NCGC00015258-05;1-.beta.-D-Ribofuranosylcytosine;NCI60_012951;Cytosine-1-.beta.-D-arabinofuranoside;HMS3371G12;4-Amino-1-.beta.-d-arabinofuranosyl-2(1H)-pyrimidinone;MolMap_000003;Oprea1_858801;NSC249004;Oprea1_593929;NSC-249004;NCGC00094638-04;CHX-3311;Cytosine-beta-D-arabinofuranoside;Iretin;NSC 63878;2(1H)-Pyrimidinone, 4-amino-1.beta.-D-arabinofuranosyl-;SCHEMBL149563;FT-0624315;cytidine-1'-13C;4-Amino-1-.beta.-D-arabinofuranosyl-2(1H)-pyrimidinon;SMP2_000209;U-19920 A;SR-01000597029-1;4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one;AC-1075;ChemDiv1_027335;FT-0624314;Cytosine, 1-.beta.-D-arabinosyl-;WLN: T6NVNJ DZ A-BT5OTJ CQ DQ E1Q;NCGC00094638-01;4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2(1H)-one;SY004943;NCGC00094638-03;AKOS017259253;1.beta.-D-Ribofuranosylcytosine;AKOS001590380;[5',5''-2H2]cytidine;SR-01000597029;

标识符

MDL:
MFCD00128983
InChIKey:
UHDGCWIWMRVCDJ-UHFFFAOYSA-N
Inchi:
1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)
SMILES:
O1C([H])(C([H])([H])O[H])C([H])(C([H])(C1([H])N1C(N=C(C([H])=C1[H])N([H])[H])=O)O[H])O[H]

4-氨基-1-[3,4-二羟基-5-(羟甲基)四氢呋喃-2-基]嘧啶-2(1H)-酮(688007-26-3)物化性质

计算特性

  • 精确分子量 : 243.08552052g/mol
  • 氢键供体数量 : 4
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 2
  • 同位素质量 : 243.08552052g/mol
  • 重原子数量 : 17
  • 复杂度 : 383
  • 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 : 4
  • 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) : -2.1
  • 拓扑分子极性表面积 : 129