18685-18-2 (5,6-二-氧-异亚丙基-α-D-呋喃葡萄糖苷,(3aR,5R,6S,6aR)-6-benzyloxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole)

CAS号:
18685-18-2
中文名称:
5,6-二-氧-异亚丙基-α-D-呋喃葡萄糖苷
英文名称:
(3aR,5R,6S,6aR)-6-benzyloxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
分子式:
C19H26O6
分子量:
350.406146526337

5,6-二-氧-异亚丙基-α-D-呋喃葡萄糖苷(18685-18-2)名称与标识符

名称

中文别名:
3-O-苄基-1,2:5,6-O-二异丙叉-ALPHA-D-呋喃葡萄糖;1,2-双棕榈酸甘油酯;3-O-苄基-1,2:5,6-O-双异丙叉-α-D-呋喃葡萄糖;3-氧-苄基-1,2:5,6-四-氧-异亚丙基-α-D-呋喃葡萄糖苷;3-O-苄基-1,2;3-氧-苄基-1,2;5,6-二-O-异亚丙基-α-D-呋喃葡萄糖苷;5,6-二-氧-异亚丙基-α-D-呋喃葡萄糖苷;3-O-苄基-1,2:5,6-二-O-异亚丙基-alpha-D-呋喃葡萄糖;3-O-BENZYL-1,2:5,6-DI-O-ISOPROPYLIDENE-A-D-GLUCOFURANOSE 3-O-苄基-1,2:5,6-二-O-异亚丙基-ALPHA-D-呋喃葡萄糖;
英文别名:
a-D-Glucofuranose,1,2:5,6-bis-O-(1-methylethylidene)-3-O-(phenylmethyl)-;3-O-Benzyl-1,2,5,6-di-O-isopropylidene-alpha-D-glucofuranose;3-O-Benzyl-1,2:5,6-Di-O-isopropylidene-α-D-glucofuranose;5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;6-benzyloxy-5-(2,2-dimethyl[1,3]dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole;AC1L3ZIF;AGN-PC-004X4X;BRN 0043822;CTK8F5165;NSC56267;SureCN2312455;5,6-di-O-isopropylidene-α-D-glucofuranose;1,2:5,6-Bis-O-(1-Methylethylidene)-3-O-(phenylMethyl)-α-D-glucofuranose;α-D-Glucofuranose, 1,2:5,6-bis-O-(1-Methylethylidene)-3-O-(phenylMethyl)-;1,2:5,6-Bis-o-(1-methylethylidene)-3-o-(phenylmethyl)-alpha-D-glucofuranose;alpha-D-Glucofuranose, 1,2:5,6-bis-o-(1-methylethylidene)-3-o-(phenylmethyl)-;3-(2,2-dimethyl-1,3-dioxolan-4-yl)-7,7-dimethyl-4-phenylmethoxy-2,6,8- trioxabicyclo[3.3.0]octane;(3aR,5R,6S,6aR)-6-benzyloxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;NSC 56267;DTXSID901152104;18685-18-2;3-O-Benzyl-1,2:5,6-Di-O-isopropylidene-a-D-glucofuranose;F20494;3-O-Benzyl-1,2:5,6-di-O-isopropylidene-alpha-D-glucofuranose;SCHEMBL1096790;(3AR,5R,6S,6aR)-6-(benzyloxy)-5-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole;3-O-Benzyl-1,2:5,6-di-O-isopropylidene-alpha-D-glucofuranose min. 98%;a-D-Glucofuranose, 1,2:5,6-bis-O-(1-Methylethylidene)-3-O-(phenylMethyl)-;4-[6-(BENZYLOXY)-2,2-DIMETHYL-TETRAHYDROFURO[2,3-D][1,3]DIOXOL-5-YL]-2,2-DIMETHYL-1,3-DIOXOLANE;NSC-56267;6-Benzyloxy-5-(2,2-dimethyl-[1,3]dioxolan-4-yl)-2,2-dimethyl-tetrahydro-furo[2,3-d][1,3]dioxole;SCHEMBL2312455;AKOS030254888;3-0-benzyl-1,2:5,6-di-O-isopropylidene-alpha-D-glucofuranose;.alpha.D-Galactofuranose, 1,2:5,6-bis-O-(1-methylethylidene)-3-O-(phenylmethyl)-;(4R)-4-[(3aR,5R,6R,6aR)-6-(benzyloxy)-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl]-2,2-dimethyl-1,3-dioxolane;3-O-Benzyl 1,2:5,6,-di-O-isopropylidene-alpha-D-glucofuranose;PS-11003;(3aR,5R)-6-[(Benzyl-4-D)oxy]-5-[(R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole;SY246335;

标识符

InChIKey:
ZHFVGOMEUGAIJX-NQNKBUKLSA-N
Inchi:
1S/C19H26O6/c1-18(2)21-11-13(23-18)14-15(20-10-12-8-6-5-7-9-12)16-17(22-14)25-19(3,4)24-16/h5-9,13-17H,10-11H2,1-4H3/t13-,14-,15+,16-,17-/m1/s1
SMILES:
O1[C@H]2[C@@H]([C@H]([C@H]1[C@H]1COC(C)(C)O1)OCC1C=CC=CC=1)OC(C)(C)O2

5,6-二-氧-异亚丙基-α-D-呋喃葡萄糖苷(18685-18-2)物化性质

实验特性

  • LogP : 2.59970
  • PSA : 55.38000
  • 折射率 : 1.4925
  • 沸点 : 127-128 C
  • 熔点 : 60-65 C
  • 溶解度 : Very 微溶 (0.42 g/L) (25 ºC),
  • 密度 : 1.21±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 350.17300
  • 氢键供体数量 : 0
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 4
  • 同位素质量 : 350.17293854g/mol
  • 重原子数量 : 25
  • 复杂度 : 473
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 5
  • 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) : 2
  • 拓扑分子极性表面积 : 55.4Ų

5,6-二-氧-异亚丙基-α-D-呋喃葡萄糖苷(18685-18-2)安全信息

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5,6-二-氧-异亚丙基-α-D-呋喃葡萄糖苷(18685-18-2)参考资料

Reaxys RN:
PubChem CID: