(2s,3s,4r,5r,6r)-5-Acetamido-6-[[[(2r,3s,4r,5r)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]methoxy-Hydroxy-Phosphoryl]oxy-Hydroxy-Phosphoryl]oxy-3,4-Dihydroxy-Oxane-2-Carboxylic Acid
기본 정보
- CAS
24758-79-0- 표준 SMILES
CC(=O)N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O- InChIKey
DZOGQXKQLXAPND-HHKCBAECSA-N- 분자식
- C17H25N3O18P2
- 평균 분자량
- 621.3 g/mol
- 단동위원소 질량
- 621.06083495
개요
UDP-2-acetamido-2-deoxy-alpha-D-glucuronic acid is a UDP-2-acetamido-2-deoxy-D-glucuronic acid having alpha-configuration at the anomeric centre. It is a conjugate acid of an UDP-2-acetamido-2-deoxy-alpha-D-glucuronate(3-).
이름 및 식별자
- 우선 이름
- (2s,3s,4r,5r,6r)-5-Acetamido-6-[[[(2r,3s,4r,5r)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]methoxy-Hydroxy-Phosphoryl]oxy-Hydroxy-Phosphoryl]oxy-3,4-Dihydroxy-Oxane-2-Carboxylic Acid
- IUPAC
- (2S,3S,4R,5R,6R)-5-acetamido-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
이름 및 동의어
UDP-N-acetyl-D-glucosaminuronate(2s,3s,4r,5r,6r)-5-Acetamido-6-[[[(2r,3s,4r,5r)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]methoxy-Hydroxy-Phosphoryl]oxy-Hydroxy-Phosphoryl]oxy-3,4-Dihydroxy-Oxane-2-Carboxylic AcidUDP-2-acetamido-2-deoxy-alpha-D-glucuronic aciduridine 5-{3-[2-(acetylamino)-2-deoxy-alpha-D-glucopyranosyluronic acid] dihydrogen diphosphate}UDP-N-acetyl-alpha-D-glucosaminouronateUDP-N-acetyl-2-amino-2-deoxy-alpha-D-glucuronateHP7CHEBI:65047DTXSID70111098424758-79-0C04573(2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,4-dihydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)
이름 더 보기
(2S,3S,4R,5R,6R)-5-acetamido-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4-dihydroxyoxane-2-carboxylic acidI+/--D-Glucopyranuronic acid, 2-(acetylamino)-2-deoxy-, 1aPa(2)-ester with uridine 5a(2)-(trihydrogen diphosphate)
물성
구조 계산 물성
- XLogP
- -6.4
- 극성 표면적
- 317 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 18
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 1,150
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