1261568-35-7 ((2R,3R,4R,5R,6R)-5-acetaMido-2-(acetoxyMethyl)-6-(2-(2-(benzyloxycarbonylaMino)ethoxy)ethoxy)tetrahydro-2H-pyran-3,4-diyl diacetate,(2R,3R,4R,5R,6R)-5-acetaMido-2-(acetoxyMethyl)-6-(2-(2-(benzyloxycarbonylaMino)ethoxy)ethoxy)tetrahydro-2H-pyran-3,4-diyl diacetate)

CAS号:
1261568-35-7
中文名称:
(2R,3R,4R,5R,6R)-5-acetaMido-2-(acetoxyMethyl)-6-(2-(2-(benzyloxycarbonylaMino)ethoxy)ethoxy)tetrahydro-2H-pyran-3,4-diyl diacetate
英文名称:
(2R,3R,4R,5R,6R)-5-acetaMido-2-(acetoxyMethyl)-6-(2-(2-(benzyloxycarbonylaMino)ethoxy)ethoxy)tetrahydro-2H-pyran-3,4-diyl diacetate
分子式:
C26H36N2O12
分子量:
568.570248603821

(2R,3R,4R,5R,6R)-5-acetaMido-2-(acetoxyMethyl)-6-(2-(2-(benzyloxycarbonylaMino)ethoxy)ethoxy)tetrahydro-2H-pyran-3,4-diyl diacetate(1261568-35-7)名称与标识符

名称

中文别名:
(2R,3R,4R,5R,6R)-5-acetaMido-2-(acetoxyMethyl)-6-(2-(2-(benzyloxycarbonylaMino)ethoxy)ethoxy)tetrahydro-2H-pyran-3,4-diyl diacetate;2-乙酰氨基-3,4,6-三-O-乙酰基-1-O - [(N-CBZ基氨基乙氧基)乙氧基] -2-脱氧-B-D吡喃半乳糖;1-O-[(N-苄氧羰基)二甘醇胺]- D-半乳糖胺四醋酸酯;(N-CBZ氨基乙氧基)乙基-1,半乳糖胺四乙酸酯;3,4,6-三-O-乙酰基-2-乙酰氨基-1-O-(N-CBZ-2-氨基乙醇)-2-脱氧-Β-D-吡喃半乳糖;2-乙酰氨基-3,4,6-三-O-乙酰基-1-O-[(N-CBZ-氨基乙氧基)乙氧基] -2-脱氧-Β-D-吡喃半乳糖;
英文别名:
(2R,3R,4R,5R,6R)-5-acetaMido-2-(acetoxyMethyl)-6-(2-(2-(benzyloxycarbonylaMino)ethoxy)ethoxy)tetrahydro-2H-pyran-3,4-diyl diacetate;23242169;2-Acetamido-3,4,6-tri-O-acetyl-1-O-[(N-Cbz-aminoethoxy)ethoxy]-2-deoxy-b-D-galactopyranose;Carbamic acid, N-[2-[2-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]ethoxy]ethyl]-, phenylmethyl ester;Carbamic acid, N-[2-[2-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl] oxy] ethoxy]ethyl]-, phenylmethyl ester;3,4,6-Tri-O-Acetyl-2-Acetylamino-1-O-(N-Cbz-2-aminoethyl)-2-deoxy-β-D-galactopyranose;2-Acetamido-3,4,6-tri-O-acetyl-1-O-[(N-Cbz-aminoethoxy)ethoxy]-2-deoxy-β-D-galactopyranose;1261568-35-7;[3,4-bis(acetyloxy)-6-[2-(2-{[(benzyloxy)carbonyl]amino}ethoxy)ethoxy]-5-acetamidooxan-2-yl]methyl acetate;

标识符

InChIKey:
AQFKCXLKNLSQJI-NHTNDUFYSA-N
Inchi:
1S/C26H36N2O12/c1-16(29)28-22-24(39-19(4)32)23(38-18(3)31)21(15-36-17(2)30)40-25(22)35-13-12-34-11-10-27-26(33)37-14-20-8-6-5-7-9-20/h5-9,21-25H,10-15H2,1-4H3,(H,27,33)(H,28,29)/t21-,22-,23+,24-,25-/m1/s1
SMILES:
[C@H]1(COC(C)=O)O[C@@H](OCCOCCNC(OCC2=CC=CC=C2)=O)[C@H](NC(=O)C)[C@@H](OC(=O)C)[C@H]1OC(=O)C

(2R,3R,4R,5R,6R)-5-acetaMido-2-(acetoxyMethyl)-6-(2-(2-(benzyloxycarbonylaMino)ethoxy)ethoxy)tetrahydro-2H-pyran-3,4-diyl diacetate(1261568-35-7)物化性质

计算特性

  • 精确分子量 : 568.22682459g/mol
  • 氢键供体数量 : 2
  • 氢键受体数量 : 12
  • 可旋转化学键数量 : 18
  • 同位素质量 : 568.22682459g/mol
  • 重原子数量 : 40
  • 复杂度 : 848
  • 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 : 5
  • 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) : 0.2
  • 拓扑分子极性表面积 : 174Ų

(2R,3R,4R,5R,6R)-5-acetaMido-2-(acetoxyMethyl)-6-(2-(2-(benzyloxycarbonylaMino)ethoxy)ethoxy)tetrahydro-2H-pyran-3,4-diyl diacetate(1261568-35-7)推荐厂家 更多厂家(11)