(2S,3S,4S,5R,6R)-6-{[{[{[(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,4,5-trihydroxytetrahydro -2H-pyran-2-carboxylic acid (non-preferred name)（CAS番号：2616-64-0）

(2S,3S,4S,5R,6R)-6-{[{[{[(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,4,5-trihydroxytetrahydro -2H-pyran-2-carboxylic acid (non-preferred name)

基本情報

編集器で閲覧

CAS番号

2616-64-0

分子式

C15H22N2O18P2

分子量

580.29 g/mol

化学分類

基礎化学原料有機化学品カルボン酸類

基礎化学原料有機化学品エーテル類

基礎化学原料有機化学品複素環化合物

医薬化学品医薬中間体複素環中間体

精密化学品染料および顔料有機染料

精密化学品界面活性剤アニオン性界面活性剤

農業化学品農薬殺虫剤

実験室化学品研究用化学品生化学試薬

基本的な物理特性

SMILES

編集器で閲覧

C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)C(=O)O)O)O)O)O)O

InChI

InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1

InChIKey

HDYANYHVCAPMJV-LXQIFKJMSA-N

LogP

-4.701399999999995

トポロジカル極性表面積

314.06 Å²

水素結合ドナー/アクセプター

9 / 20

複雑度

1040

同義語と引用データ

英語

Uridine diphosphate-glucuronate
Uridine 5'-diphospho-alpha-delta-glucuronic acid
alpha-D-Glucopyranuronic acid, 1-P'-ester with uridine 5'-(trihydrogen diphosphate)
Uridine diphospho-delta-glucuronate
Q277638
(2S, 3S, 4S, 5R, 6R)-6-[[[(2R, 3S, 4R, 5R)-5-(2, 4-dioxopyrimidin-1-yl)-3, 4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3, 4, 5-trihydroxyoxane-2-carboxylic acid
alpha-delta-Glucopyranuronic acid 1->5'-ester with uridine 5'-(trihydrogen pyrophosphate)
udp-glcua
Uridine 5'-diphospho-alpha-delta-glucuronate
Uridine diphospho-D-glucuronate
CHEMBL228057
UDP-delta-glucuronic acid
04SZC4MEFQ
uridine 5'-[3-(D-glucopyranosyloxyuronic acid) dihydrogen diphosphate]
Uridine 5'-diphosphate alpha-D-Glucopyranuronic acid
alpha-D-Glucopyranuronic acid 1-P'-ester with uridine 5'-(trihydrogen diphosphate)
alpha-delta-Glucopyranuronic acid 1-P'-ester with uridine 5'-(trihydrogen diphosphate)
UGA
Udp-glucuronic acid
UDPglucuronate
2616-64-0
Glucopyranuronic acid 1-ester with uridine 5'-pyrophosphate
uridine 5''-[3-(alpha-D-glucopyranuronosyl) dihydrogen diphosphate]
(2S,3S,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
UDP-glucuronate
alpha-delta-Glucopyranuronic acid ester with uridine 5'-pyrophosphate
UDP-alpha-D-glucuronate
uridine diphosphate glucuronate
DB03041
.ALPHA.-D-GLUCOPYRANURONIC ACID, 1->P'-ESTER WITH URIDINE 5'-(TRIHYDROGEN DIPHOSPHATE)
UDPGA