6-Deoxy-alpha-L-galactopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-D-gluco se（CAS号：16789-38-1）

LACTO-N-DIFUCOHEXAOSE I 乳糖-N-二岩藻六糖 I

基本信息

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CAS号

16789-38-1

分子式

C38H65NO29

分子量

999.92 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品醛类

基础化工原料有机化学品醚类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品表面活性剂阴离子表面活性剂

聚合物和塑料热塑性塑料聚烯烃

实验室化学品科研化学品生化试剂

基本物理性质

沸点

1349.9±65.0 °C(Predicted)

密度

1.71±0.1 g/cm3(Predicted)

SMILES

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C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C)O)O)O)NC(=O)C)O[C@H]5[C@H]([C@H](O[C@H]([C@@H]5O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)CO)O)O)O

InChI

InChI=1S/C38H65NO29/c1-9-18(48)23(53)26(56)35(59-9)65-30-16(8-44)63-34(67-32-22(52)15(7-43)61-37(28(32)58)64-29(13(47)5-41)20(50)12(46)4-40)17(39-11(3)45)31(30)66-38-33(25(55)21(51)14(6-42)62-38)68-36-27(57)24(54)19(49)10(2)60-36/h4,9-10,12-38,41-44,46-58H,5-8H2,1-3H3,(H,39,45)/t9-,10-,12-,13+,14+,15+,16+,17+,18+,19+,20+,21-,22-,23+,24+,25-,26-,27-,28+,29+,30+,31+,32-,33+,34-,35-,36-,37-,38-/m0/s1

InChIKey

OQIUPKPUOLIHHS-URTONSIPSA-N

LogP

-12.058800000000028

pKa

12.39±0.20(Predicted)

拓扑极性表面积

482.38000000000017 Å²

氢键供体/受体

18 / 30

同义词与引用数据

英文

ALPHA-L-FUC-[1->2]-BETA-D-GAL-[1->3]ALPHA-L-FUC-[1->4]-BETA-D-GLCNAC-[1->3]-BETA-D-GAL-[1->4]-D-GLC
α-l-fuc-(1→2)-β-d-gal-(1→3)[α-l-fuc-(1→4)]-β-d-glcnac-(1→3)-β-d-gal-(1→4)-d-glc
Lacto-N-difucohexaose
O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-O-[6-deoxy-a-L-galactopyranosyl-(1->4)]-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->3)-O-b-D-galactopyranosyl-(1->4)-D-Glucose
Leb-lactose, Lewis-b hexasaccharide, LNDFH I, α-L-Fuc-(1-2)-β-D-Gal-(1-3)[α-L-Fuc-(1-4)]-β-D-GlcNAc-(1-3)-β-D-Gal-(1-4)-D-Glc
Lacto-N-difucohexaose I (LNDFH I)
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-4-yl]oxy-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
LACTO-N-DIFUCOHEXAOSE-1
lacto-N-difucohexaose I
2-(acetylamino)-2-deoxy-alpha-D-glucopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->5)]-[6-deoxy-alpha-L-galactopyranosyl-(1->2)-alpha-D-galactopyranosyl-(1->4)]-[alpha-D-galactopyranosyl-(1->2)]-D-glucose
2)-O-b-D-galactopyranosyl-(1&reg
3)-O-b-D-galactopyranosyl-(1&reg
4)]-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1&reg
IV2FUC,III4FUC-LCOSE4
LACTO-N-DIFUCOHEXAOSE I-GEL
LND I
LND I-GEL
LND-1
LNDFH I
LE B-LACTOSE
LEWIS-B HEXASACCHARIDE
Lacto-N-difucohexaose I