114869-95-3 (磺达肝癸钠中间体,((2R,3S,4R,5R,6S)-4-(Benzyloxy)-5-(((benzyloxy)carbonyl)amino)-3-hydroxy-6-methoxytetrahydro-2H-pyran-2-yl)methyl acetate)

CAS号:
114869-95-3
中文名称:
磺达肝癸钠中间体
英文名称:
((2R,3S,4R,5R,6S)-4-(Benzyloxy)-5-(((benzyloxy)carbonyl)amino)-3-hydroxy-6-methoxytetrahydro-2H-pyran-2-yl)methyl acetate
分子式:
C24H29NO8
分子量:
459.488967657089

磺达肝癸钠中间体(114869-95-3)名称与标识符

名称

中文别名:
2-脱氧-2-[[(苯基甲氧基)羰基]氨基]-3-O-(苯基甲基)-alpha-D-吡喃葡萄糖苷 6-乙酸甲酯;磺达肝癸钠中间体;甲基 2-脱氧-2-[[苄氧羰基]氨基]-3-O-苄基-alpha-D-吡喃葡萄糖苷 6-乙酸酯;磺达肝癸钠 A糖;2-脱氧-2-[[(苯基甲氧基)羰基]氨基]-3-O-(苯基甲基)-ALPHA-D-吡喃葡萄糖苷 6-乙酸甲酯 磺达肝癸钠中间体;2-脱氧-2-[[(苯基甲氧基)羰基]氨基]-3-O-(苯基甲基)-ALPHA-D-吡喃葡萄糖苷 6-乙酸甲酯 磺达肝癸钠中间体 1KG;
英文别名:
((2R,3S,4R,5R,6S)-4-(Benzyloxy)-5-(((benzyloxy)carbonyl)amino)-3-hydroxy-6-methoxytetrahydro-2H-pyran-2-yl)methyl acetate;[(2R,3S,4R,5R,6S)-3-hydroxy-6-methoxy-4-phenylmethoxy-5-(phenylmethoxycarbonylamino)oxan-2-yl]methyl acetate;a-D-Glucopyranoside, methyl2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-3-O-(phenylmethyl)-, 6-a...;a-D-Glucopyranoside, methyl2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-3-O-(phenylmethyl)-, 6-acetate;Methyl 2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-3-O-(phenylmethyl)-alpha-D-glucopyranoside 6-acetate;METHYL 6-O-ACETYL-3-O-BENZYL-2-BENZYLOXYCARBONYLAMINO-2-DEOXY-A-D-GLUCOPYRANOSE;AK-56579;methyl 6-O-acetyl-3-O-benzyl-2-benzyloxycarbonylamino-2-deoxy-α-D-glucopyranoside;Methyl 6-O-acetyl-3-O-benzyl-N-Cbz-alpha-D-glucosaminide;alpha-D-Glucopyranoside, Methyl 2-deoxy-2-[[(phenylMethoxy)carbonyl ]aMino]-3-O-(phenylMethyl)-, 6-acetate;((2R,5R,6R)-4-(benzyloxy)-5-(((benzyloxy)carbonyl)amino)-3-hydroxy-6-methoxytetrahydro-2H-pyran-2-yl)methyl acetate;a-D-Glucopyranoside, methyl 2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-3-O-(phenylmethyl)-, 6-acetate(Fondaparinux sodium Intermediate);114869-95-3;a-D-Glucopyranoside,methyl 2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-3-O-(phenylmethyl)-,6-acetate;a-D-Glucopyranoside, methyl 2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-3-O-(phenylmethyl)-, 6-acetat;alpha-D-Glucopyranoside, methyl 2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-3-O-(phenylmethyl)-, 6-acetate;a-D-Glucopyranoside, methyl 2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-3-O-(phenylmethyl)-, 6-acetate;W-200867;Methyl 6-O-acetyl-3-O-benzyl-2-benzyloxycarbonylamino-2-deoxy-alpha-D-glucopyranoside min. 99%;

标识符

InChIKey:
VOTXJTGQZBSOKH-JLMDMGSGSA-N
Inchi:
1S/C24H29NO8/c1-16(26)30-15-19-21(27)22(31-13-17-9-5-3-6-10-17)20(23(29-2)33-19)25-24(28)32-14-18-11-7-4-8-12-18/h3-12,19-23,27H,13-15H2,1-2H3,(H,25,28)/t19-,20-,21-,22-,23+/m1/s1
SMILES:
O1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1COC(C)=O)O)OCC1C=CC=CC=1)NC(=O)OCC1C=CC=CC=1)OC

磺达肝癸钠中间体(114869-95-3)物化性质

实验特性

  • LogP : 2.55300
  • PSA : 112.55000
  • 溶解度 : Very 微溶 (0.34 g/L) (25 ºC),
  • 密度 : 1.28±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 459.18900
  • 氢键供体数量 : 2
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 11
  • 同位素质量 : 459.18931688g/mol
  • 重原子数量 : 33
  • 复杂度 : 605
  • 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) : 1.9
  • 拓扑分子极性表面积 : 113Ų