CAS 2956-16-3|Glucose-Uridine-C1,5'-Diphosphate|uridine-5'-diphosphate-mannose|[({[(2S,3R,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)o...

基本信息

化学结构

分子式

C₁₅H₂₄N₂O₁₇P₂

分子量

566.301782

精确质量

566.05502058

电荷

InChI

InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11+,12-,13+,14+/m0/s1

InChIKey

HSCJRCZFDFQWRP-LJMZODOWSA-N

Canonic Smiles

OC[C@@H]1O[C@H](O[P@](=O)(O[P@@](=O)(OC[C@@H]2O[C@H]([C@@H]([C@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@H]([C@@H]([C@H]1O)O)O

Isomeric Smiles

OC[C@@H]1O[C@H](O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2O[C@H]([C@H](O)[C@H]2O)n2ccc(=O)[nH]c2=O)[C@@H](O)[C@H](O)[C@H]1O

计算属性

JChem

Acid pKa

1.7126004

质子受体

质子供体

LogD (pH = 5.5)

-9.425037

LogD (pH = 7.4)

-9.745722

Log P

-4.9966083

摩尔折射率

106.4558

极化性

44.259937

极化表面积

291.54

可自由旋转的化学键

里宾斯基五规则

false

ALOGPS 2.1

Log P

-1.43

LOG S

-1.58

溶解度

1.50e+01 g/l

数据来源

学术数据

数据来源

名称和标识

别名

Glucose-Uridine-C1,5'-DiphosphateUridine-5'-Monophosphate Glucopyranosyl-MonophosphateesterUridine-5'-Diphosphate-MannoseUridine Diphosphate GalactoseUDP-D-GalactopyranoseUridine pyrophosphogalactoseUridinediphosphogalactoseUDP galactoseGALACTOSE-URIDINE-5'-DIPHOSPHATEUDP-galUridine diphosphogalactoseUPGUDPgalGDUUDP-d-galactoseUridinediphosphate galactoseUridine diphosphate-d-galactoseUridine 5'-diphosphate galactoseUDP-galactoseUridine 5'-diphosphogalactoseUDP-alpha-d-galactoseUDP-galactopyranose

IUPAC传统名

uridine-5'-diphosphate-mannose

IUPAC标准名

[({[(2S,3R,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphinic acid

名称和标识

数据登录号

CAS号

2956-16-3

PubChem CID

46936243

PubChem SID

46507114160965088465071504650477346508932

数据登录号

化合物性质

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分子相关蛋白质

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分子图谱

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描述信息

DrugBank

DB01861

Drug Groups

experimental

Description

A key intermediate in carbohydrate metabolism. Serves as a precursor of glycogen, can be metabolized into UDPgalactose and UDPglucuronic acid which can then be incorporated into polysaccharides as galactose and glucuronic acid. Also serves as a precursor of sucrose lipopolysaccharides, and glycosphingolipids. [PubChem]

DB02421

Drug information: experimental

DB03501

Drug Groups

experimental

Description

A nucleoside diphosphate sugar which can be epimerized into UDPglucose for entry into the mainstream of carbohydrate metabolism. Serves as a source of galactose in the synthesis of lipopolysaccharides, cerebrosides, and lactose. [PubChem]

Affected Organisms

Humans and other mammals

DB04355

Drug Groups

experimental

Description

描述信息

参考文献

PubChem文献

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