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4-硝基苯基-2-乙酰氨基-2-脱氧-3-O--(β-吡喃半乳糖)-α-D-半乳糖苷 | 59837-14-8

4-硝基苯基-2-乙酰氨基-2-脱氧-3-O--(β-吡喃半乳糖)-α-D-半乳糖苷
4-Nitrophenyl 2-(Acetamido)-2-deoxy-3-O-b-D-galactopyranosyl-a-D-galactopyranoside
59837-14-8
C20H28N2O13
504.44192
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:4-硝基苯基-2-乙酰氨基-2-脱氧-3-O--(β-吡喃半乳糖)-α-D-半乳糖苷结构式
125307639
名称和标识符
MDL MFCD00064051
InChIKey INMOOBMAIAWVBW-UVFFFCKLSA-N
Inchi 1S/C20H28N2O13/c1-9(25)21-20(29)18(35-15-6-12(26)16(27)13(7-23)33-15)17(28)14(8-24)34-19(20)32-11-4-2-10(3-5-11)22(30)31/h2-5,12-19,23-24,26-29H,6-8H2,1H3,(H,21,25)/t12-,13-,14-,15+,16-,17+,18+,19+,20-/m1/s1
SMILES CC(N[C@@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@H](O2)CO)[C@@H](O)[C@H](O[C@@H]1OC3=CC=C([N+]([O-])=O)C=C3)CO)=O
别名信息
- 中文别名 -
  • 对硝基苯-T抗原
  • 4-硝基苯基 2-(乙酰氨基)-2-脱氧-3-O-beta-D-吡喃半乳糖基-α-D-吡喃半乳糖苷
  • 4-硝基苯基 2-(乙酰氨基)-2-脱氧-3-O-beta-D-吡喃半乳糖基-alpha-D-吡喃半乳糖苷
  • 4-硝基苯基 2-乙酰氨基-2-脱氧-3-O-(β-D-吡喃半乳糖)-α-D-吡喃半乳糖苷 (T抗原?)
  • 4-硝基苯基-2-乙酰氨基-2-脱氧-3-O--(β-吡喃半乳糖)-α-D-半乳糖苷
- 英文别名 -
  • a-D-Galactopyranoside,4-nitrophenyl 2-(acetylamino)-2-deoxy-3-O-b-D-galactopyranosyl-
  • Galβ(1-3)GalNAc-α-pNP
  • Gal beta(1-3)GalNAc-alpha-pNP
  • P-Nitrophenyl
  • 4-Nitrophenyl 2-(Acetamido)-2-deoxy-3-O-β-D-galactopyranosyl-α-D-galactopyranoside
  • 4-Nitrophenyl 2-(Acetamido)-2-deoxy-3-O-β-D-galactopyranosyl-α-D -galactopyranoside
  • Gal beta(1-3)GalNAc-alpha-pNP Galβ(1-3)GalNAc-α-pNP
  • 4-Nitrophenyl 2-acetamido-2-deoxy-3-O-(-β-D-galactopyranosyl)-α-D-galactopyranoside
  • 4-Nitrophenyl 2-acetamido-2-deoxy-3-O-(β-D-galactopyranosyl)-α-D-galactopyranoside
  • PNP Gal-β1,3-GalNAc
  • T ANTIGEN, P-NITROPHENYL-
  • P-NITROPHENYL 2-ACETAMIDO-2-DEOXY-3-O-(B-D-GALACTOPYRANOSYL)-A-D-GALACTOPYRANOSIDE
  • P-NITROPHENYL 2-ACETAMIDO-2-DEOXY-3-O-(BETA-D-GALACTOPYRANOSYL)-ALPHA-D-GALACTOPYRANOSIDE
  • BETA-D-GAL-[1->3]-ALPHA-D-GALNAC-1->OC6H4NO2-P
  • GAL-BETA1,3GALNAC-ALPHA-PNP
  • GAL1-B-3GALNAC-A-PNP
  • P-nitrophenyl 2-acetamido-2-deoxy-3-O-*(B-D-galac
  • P-NITROPHENYL 2-ACETAMIDO-2-DEOXY-3-O-*( B-D-GALACTO
  • 4-Nitrophenyl 2-(Acetamido)-2-deoxy-3-O-
  • SCHEMBL7712800
  • 4-Nitrophenyl 2-(Acetamido)-2-deoxy-3-O-?-D-galactopyranosyl-?-D-galactopyranoside
  • p-Nitrophenyl 2-acetamido-2-deoxy-3-o-(b-D-galactopyranosyl)-a-D-galactopyranoside
  • 3ayd
  • p-Nitrophenyl galacto-N-bioside, >=98%
  • N-((2R,3R,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)-4-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)tetrahydro-2H-pyran-3-yl)acetamide
  • N-[(2R,3R,4R,5R,6R)-5-HYDROXY-6-(HYDROXYMETHYL)-2-(4-NITROPHENOXY)-4-{[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-3-YL]ACETAMIDE
  • MFCD00064051
  • N-((2R,3R,4R,5R,6R)-5-Hydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)-4-(((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl)acetamide
  • A-D-galactopyranosyl-
  • 4-Nitrophenyl 2-(Acetamido)-2-deoxy-3-O-beta-D-galactopyranosyl-alpha-D-galactopyranoside
  • 4-Nitrophenyl 2-(Acetamido)-2-deoxy-3-O- beta -D-galactopyranosyl- alpha -D-galactopyranoside
  • W-203161
  • A-D-galactopyranoside
  • p-nitrophenyl 2-acetamido-2-deoxy-3-o-(beta-d-galactopyranosyl)-alpha-d-galactopyranoside
  • 3m3e
  • Gal1-beta-3GalNAc-alpha-PNP
  • 59837-14-8
  • 3m3c
  • p-Nitrophenyl galacto-N-bioside
  • WURCS=2.0/2,2,1/[a2112h-1a_1-5_1*O(C^EC^ZC^EC^EC^ZC^E$3)/6NO/9=O_2*NCC/3=O][a2112h-1b_1-5]/1-2/a3-b1
  • 3m3o
  • 4-Nitrophenyl 2-acetamido-2-deoxy-3-O-(b-D-galactopyranosyl)-a-D-galactopyranoside
  • W-203228
物化性质
实验特性
LogP -2.34440
PSA 233.22000
熔点 228°C(lit.)
溶解度 微溶 (5.5 g/L) (25 ºC),
颜色与性状 未确定
密度 1.61±0.1 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量 504.15900
氢键供体数量 7
氢键受体数量 12
可旋转化学键数量 9
同位素质量 504.15913895g/mol
重原子数量 35
复杂度 716
同位素原子数量 0
确定原子立构中心数量 9
不确定原子立构中心数量 1
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
互变异构体数量 2
表面电荷 0
拓扑分子极性表面积 231
安全信息
专业数据库参考
PubChemId 125307639
参考资料
Reaxys RN 1445133
Beilstein MFCD00064051
960化工网为您提供4-硝基苯基-2-乙酰氨基-2-脱氧-3-O--(β-吡喃半乳糖)-α-D-半乳糖苷专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:59837-14-8,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等;| WAP 版:59837-14-8
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