134877-42-2 (2-脱氧-2,2-二氟-D-呋喃核糖基-3,5-二甲苯酰基-1-甲磺酸酯(α型),2-Deoxy-2,2-difluoro-3,5-dibenzoate-1-methanesulfonate α-D-erythro-Pentofuranose)

CAS号:
134877-42-2
中文名称:
2-脱氧-2,2-二氟-D-呋喃核糖基-3,5-二甲苯酰基-1-甲磺酸酯(α型)
英文名称:
2-Deoxy-2,2-difluoro-3,5-dibenzoate-1-methanesulfonate α-D-erythro-Pentofuranose
分子式:
C20H18F2O8S
分子量:
456.413932323456

2-脱氧-2,2-二氟-D-呋喃核糖基-3,5-二甲苯酰基-1-甲磺酸酯(α型)(134877-42-2)名称与标识符

名称

中文别名:
2-脱氧-2,2-二氟-D-呋喃核糖基-3,5-二甲苯酰基-1-甲磺酸酯(α型);2,2-二氟-1-甲磺酰氧基-2-脱氧核糖-3,5-二苯甲酸酯(α型);2-脱氧-2,2-二氟-3,5-二苯甲酰基-D-核糖-1-甲磺酸酯;2-脱氧-2,2-二氟-D-呋喃核糖基-3,5-二***酰基-1-甲磺酸酯(α型);2-脱氧-2,2-二氟-D-呋喃核糖基-3,5-二苯甲酰基-1-甲磺酸酯;吉西他滨;吉西他滨中间体;2-脱氧-2,2-二氟-alpha-D-赤式-呋喃戊糖 3,5-二苯甲酸酯 1-甲烷磺酸酯;2-脱氧-2,2-二氟-呋喃核糖基-3,5-二苯甲酰基-1-甲磺酸酯;
英文别名:
((2R,3R,5S)-3-(Benzoyloxy)-4,4-difluoro-5-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate;2-Deoxy-2,2-difluoro-D-erythro-pentofuranose-3,5-dibenzoate-1-methanesulfonate;((2R,3R,5S)-3-(Benzoyloxy)-4,4-difluoro-5-((methyl-sulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate;2,2-;2-Deoxy-2,2-difluoro-D-erythro-pentafuranous-1-ulose-3,5-dibenzoate;2-Deoxy-2,2-difluoro-D-ribofuranose-3,5-dibenzoate-1-methanesulfonate;((2R,3R,5R)-3-(Benzoyloxy)-4,4-difluoro-5-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate;1-methylsulfonyl-2-deoxy-2,2-difluoro-D;2-deoxy-2,2-difluoro-D-ribofuranose-3,4-dibenzoate-1-methanesulfonate;2-deoxy-D-erythro-2,2-difluororibofuranose 3,5-dibenzoate 1-methanesulfonate;3,5-di-O-benzoyl-2-deoxy-2,2-difluoro-1-O-methanesulfonyl-D-erythro-pentofuranose;3,5-di-O-benzoyl-2-deoxy-2,2-difluoro-D-ribofuranosyl mesylate;[4,4-bis(fluoranyl)-5-methylsulfonyloxy-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate;benzoic acid (3-benzoyloxy-4,4-difluoro-5-methylsulfonyloxy-2-oxolanyl)methyl ester;A806851;A804846;((2R,3R,5R)-3-(Benzoyloxy)-4,4-difluoro-5-((methyl-sulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate;AKOS015896201;SCHEMBL8713071;[(2R,3R,5R)-3-benzoyloxy-4,4-difluoro-5-methylsulfonyloxyoxolan-2-yl]methyl benzoate;[(2R,3R,5R)-3-(BENZOYLOXY)-4,4-DIFLUORO-5-(METHANESULFONYLOXY)OXOLAN-2-YL]METHYL BENZOATE;MFCD22422479;DS-16124;alpha-D-erythro-Pentofuranose, 2-deoxy-2,2-difluoro-, 3,5-dibenzoate 1-methanesulfonate;((2R,3R,5R)-3-(Benzoyloxy)-4,4-difluoro-5-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methylbenzoate;CS-0357062;2-Deoxy-2,2-difluoro-3,5-O-dibenzoylribose mesylate;134877-43-3;C20H18F2O8S;DTXSID301129773;3,5-Bis(benzoyl)-1-methanesulfonyloxy-2-deoxy-2,2-difluororibose(beta-form);3,5-bis(benzoyl)-1-methanesulfonyloxy-2-deoxy-2,2-difluororibose;D84356;((2R3R5R)-3-(Benzoyloxy)-44-difluoro-5-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate;134877-42-2;LIAQHZDWFACWFK-GPMSIDNRSA-N;I+/--D-erythro-Pentofuranose, 2-deoxy-2,2-difluoro-, 3,5-dibenzoate 1-methanesulfonate;

标识符

MDL:
MFCD22422479
InChIKey:
LIAQHZDWFACWFK-GPMSIDNRSA-N
Inchi:
1S/C20H18F2O8S/c1-31(25,26)30-19-20(21,22)16(29-18(24)14-10-6-3-7-11-14)15(28-19)12-27-17(23)13-8-4-2-5-9-13/h2-11,15-16,19H,12H2,1H3/t15-,16-,19-/m1/s1
SMILES:
S(C)(=O)(=O)O[C@@H]1C([C@@H]([C@@H](COC(C2C=CC=CC=2)=O)O1)OC(C1C=CC=CC=1)=O)(F)F

2-脱氧-2,2-二氟-D-呋喃核糖基-3,5-二甲苯酰基-1-甲磺酸酯(α型)(134877-42-2)物化性质

实验特性

  • LogP : 3.48620
  • PSA : 105.2
  • 折射率 : 1.583
  • 沸点 : 588.439 °C at 760 mmHg
  • 熔点 : 90 °C
  • 闪点 : 309.677 °C
  • 颜色与性状 : NA
  • 密度 : 1.46

计算特性

  • 精确分子量 : 448.11922
  • 氢键供体数量 : 0
  • 氢键受体数量 : 10
  • 可旋转化学键数量 : 9
  • 同位素质量 : 456.069
  • 重原子数量 : 31
  • 复杂度 : 739
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 3
  • 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) : 3.3
  • 拓扑分子极性表面积 : 114

2-脱氧-2,2-二氟-D-呋喃核糖基-3,5-二甲苯酰基-1-甲磺酸酯(α型)(134877-42-2)国际标准相关数据

EINECS:
NA

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2-脱氧-2,2-二氟-D-呋喃核糖基-3,5-二甲苯酰基-1-甲磺酸酯(α型)(134877-42-2)参考资料

Reaxys RN:
PubChem CID: