17675-99-9 (2(3H)-呋喃酮,二氢-3,4-二羟基-,(3R,4R)-rel-,2(3H)-Furanone,dihydro-3,4-dihydroxy-, (3R,4R)-rel-)

CAS号:
17675-99-9
中文名称:
2(3H)-呋喃酮,二氢-3,4-二羟基-,(3R,4R)-rel-
英文名称:
2(3H)-Furanone,dihydro-3,4-dihydroxy-, (3R,4R)-rel-
分子式:
C4H6O4
分子量:
118.088041782379

2(3H)-呋喃酮,二氢-3,4-二羟基-,(3R,4R)-rel-(17675-99-9)名称与标识符

名称

英文别名:
2(3H)-Furanone,dihydro-3,4-dihydroxy-, (3R,4R)-rel-;(3R,4R)-3,4-dihydroxyoxolan-2-one;3,4-dihydroxydihydrofuran-2(3H)-one;Erythrono-1,4-lactone;InChI=1/C4H6O4/c5-2-1-8-4(7)3(2)6/h2-3,5-6H,1H2/t2-,3-/m1/s;D-Erythronolactone, 98%;DS-9368;(3R,4R)-3,4-Dihydroxydihydrofuran-2(3H)-one;MFCD00077763;CHEBI:87625;3,4-Dihydroxyoxolan-2-onato(3-);SGMJBNSHAZVGMC-PWNYCUMCSA-N;A809763;DTXSID90935493;SCHEMBL818248;(3R,4R)-rel-dihydro-3,4-dihydroxy-2(3H)-Furanone;CHEMBL113716;15667-21-7;dihydro-3,4-dihydroxy-cis-2(3H)-Furanone;C3A81166-85F4-4D25-8FB9-714897037227;Rel-(3R,4R)-3,4-dihydroxydihydrofuran-2(3H)-one;delta-Erythronic acid gamma-lactone;AKOS024262526;2(3H)-Furanone, dihydro-3,4-dihydroxy-, (3R,4R)-;CS-0157912;W-201409;D-Erythronolactone;s11960;D-Erythronic gamma-Lactone;17675-99-9;Erythronic acid-1,4-lactone;D-Erythronic acid gamma-lactone;Q27159785;(3R,4R)-Dihydroxydihydro-2(3H)-furanone;d-erythrono-1,4-lactone;erythronic acid gamma-lactone;3,4-Dihydroxydihydro-2(3H)-furanone;Erythronic acid g-lactone;E0455;D-Erythrono-1,4-lactone, >=95.0% (GC);D-Erythronic acid gamma-lactone, 95%;EN300-371174;(3R,4R)-dihydro-3,4-dihydroxy-Threono-1,4-lactone 2(3H)-Furanone;erythronolactone;(3R,4R)-3,4-dihydroxytetrahydrofuran-2-one;

标识符

InChIKey:
SGMJBNSHAZVGMC-PWNYCUMCSA-N
Inchi:
1S/C4H6O4/c5-2-1-8-4(7)3(2)6/h2-3,5-6H,1H2/t2-,3-/m1/s1
SMILES:
O1C([C@@H]([C@@H](C1)O)O)=O

2(3H)-呋喃酮,二氢-3,4-二羟基-,(3R,4R)-rel-(17675-99-9)物化性质

实验特性

  • PSA : 66.76
  • 折射率 : 1.579
  • 沸点 : 277.1°Cat760mmHg
  • 闪点 : 129.1°C
  • 密度 : 1.681

计算特性

  • 精确分子量 : 118.02658
  • 氢键供体数量 : 2
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 0
  • 同位素质量 : 118.02660867g/mol
  • 重原子数量 : 8
  • 复杂度 : 111
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 2
  • 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) : -1.3
  • 拓扑分子极性表面积 : 66.8Ų

2(3H)-呋喃酮,二氢-3,4-二羟基-,(3R,4R)-rel-(17675-99-9)合成路线

合成路线:1 步
反应条件:
参考文献:
Microwave-assisted base-free oxidation of glucose on gold nanoparticle catalysts
By Rautiainen, Sari et al, Catalysis Communications, 2016, 74, 115-118