35890-39-2 (N-乙酰神经胺-乳糖,6'-Sialyllactose)

CAS号:
35890-39-2
中文名称:
N-乙酰神经胺-乳糖
英文名称:
6'-Sialyllactose
分子式:
C23H39NO19
分子量:
633.551069498062

N-乙酰神经胺-乳糖(35890-39-2)名称与标识符

名称

中文别名:
6`-唾液乳糖;6'唾液乳糖;N-乙酰神经胺-乳糖;6'-唾液乳糖;
英文别名:
(2R,4S,5R,6R)-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-2-yl]methoxy]oxane-2-carboxyl;6'-SIALYLLACTOSE;6'-Sialyllactose (6'-SL);6'-SIALYLLACTOSE(‘-SL);D-Glucose, O-(N-acetyl-a-neuraminosyl)-(2®6'6)-O-b-D-galactopyranosyl-(1®6’-Sialyllactose;6'-a-Sialyllactose;6'-Monosialyllactose;(2>6')-alpha-Sialyllactose;6'-alpha-Sialyllactose;AS-78716;D-Glucose, O-(N-acetyl-alpha-neuraminosyl)-(2->6)-o-beta-D-galactopyranosyl-(1->4)-;HY-N10521;SCHEMBL22259190;(2R,4S,5R,6R)-5-Acetamido-4-hydroxy-2-(((2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(((2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid;D-Glucose, O-(N-acetyl-a-neuraminosyl)-(2~6)-O-b-D-galactopyranosyl-(1~4)- (9CI);D-GLUCOSE, O-(N-ACETYL-.ALPHA.-NEURAMINOSYL)-(2->6)-O-.BETA.-D-GALACTOPYRANOSYL-(1->4)-;6'-N-Gycolyneuraminyllactose;D-Glucose,O-(N-acetyl-a-neuraminosyl)-(26)-O-b-D-galactopyranosyl-(14)-;D-glucose, O-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-2-nonulopyranonosyl-(2->6)-O-beta-D-galactopyranosyl-(1->4)-;(2R,4S,5R,6R)-5-ACETAMIDO-4-HYDROXY-2-{[(2R,3R,4S,5R,6S)-3,4,5-TRIHYDROXY-6-{[(2R,3R,4R,5R)-1,2,4,5-TETRAHYDROXY-6-OXOHEXAN-3-YL]OXY}OXAN-2-YL]METHOXY}-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]OXANE-2-CARBOXYLIC ACID;(2R,4S,5R,6R)-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-2-yl]methoxy]oxane-2-carboxylic acid;O-(N-acetyl-alpha-neuraminosyl)-(2-3)-O-beta-D-galactopyranosyl-(1-4)-D-Glucose;(2>6')-Sialyllactose;DTXSID40349248;LU9DTA2WHJ;E80758;O-(N-acetyl-alpha-neuraminosyl)-(2-3)-O-beta-delta-galactopyranosyl-(1-4)-delta-Glucose;6'-.ALPHA.-SIALYLLACTOSE;D-Glucose,O-(N-acetyl-a-neuraminosyl)-(2?6)-O-b-D-galactopyranosyl-(1?4)-;N-acetylneuramin-lactose;PD007009;(2->6')-Sialyllactose;CS-0610211;35890-39-2;UNII-LU9DTA2WHJ;NS00126038;(2>6')-a-Sialyllactose;(2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-(((2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(((2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxy)oxan-2-yl)methoxy)-6-((1R,2R)-1,2,3-trihydroxypropyl)oxane-2-carboxylic acid;VMWYCXKMRSTDSP-GIGDJUIZSA-N;DTXCID50300320;(2R,4S,5R,6R)-5-acetamido-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)-2-(((2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-((2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl)oxyoxan-2-yl)methoxy)oxane-2-carboxylic acid;1ST001235;(2R,4S,5R,6R)-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxane-2-carboxylic acid;

标识符

MDL:
MFCD00133574
InChIKey:
VMWYCXKMRSTDSP-GIGDJUIZSA-N
Inchi:
1S/C23H39NO19/c1-7(28)24-13-8(29)2-23(22(38)39,43-20(13)15(34)10(31)4-26)40-6-12-16(35)17(36)18(37)21(41-12)42-19(11(32)5-27)14(33)9(30)3-25/h3,8-21,26-27,29-37H,2,4-6H2,1H3,(H,24,28)(H,38,39)/t8-,9-,10+,11+,12+,13+,14+,15+,16-,17-,18+,19+,20+,21-,23+/m0/s1
SMILES:
O1[C@@](C(=O)O)(C[C@@H]([C@H]([C@@H]1[C@@H]([C@@H](CO)O)O)NC(C)=O)O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O1)O)O)O

N-乙酰神经胺-乳糖(35890-39-2)物化性质

实验特性

  • LogP : -7.98990
  • PSA : 342.92000

计算特性

  • 精确分子量 : 633.21200
  • 氢键供体数量 : 13
  • 氢键受体数量 : 20
  • 可旋转化学键数量 : 12
  • 同位素质量 : 633.21162801g/mol
  • 重原子数量 : 43
  • 复杂度 : 927
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 15
  • 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) : -8
  • 拓扑分子极性表面积 : 343Ų

N-乙酰神经胺-乳糖(35890-39-2)安全信息

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