오로티딘

Orotidine

HCID 92751

기본 정보

CAS: 314-50-1
표준 SMILES: O=C(O)c1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey: FKCRAVPPBFWEJD-XVFCMESISA-N
분자식: C10H12N2O8
평균 분자량: 288.21 g/mol
단동위원소 질량: 288.05936535

개요

Orotidine is a nucleoside formed by attaching orotic acid to a ribose ring via a betaN(1)-glycosidic bond. It has a role as a plant metabolite, a fungal metabolite and a bacterial metabolite. It is a pyrimidinemonocarboxylic acid, a member of uridines and a nucleoside.

이름 및 식별자

우선 이름: Orotidine
IUPAC: 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dioxopyrimidine-4-carboxylic acid
현지명: 오로티딘
영어명: OROTIDINE
분자식: C10H12N2O8
분자량: 288.21

이름 및 동의어

Orotidine314-50-16-Carboxyuridine3-Ribofuranosylorotic acidB350MC02GZ3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dioxopyrimidine-4-carboxylic acidCHEBI:257223-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid3-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid3-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)-2,6-dioxopyrimidine-4-carboxylic acidRefChem:168575Uridine-6-carboxylicacid

이름 더 보기

오로티딘Orotidine ,98%URIDINE-6-CARBOXYLIC ACIDorotidine free acid approx. 90%Orotidine (Uridine-6-carboxylic acid)1,2,3,6-Tetrahydro-2,6-dioxo-3-β-D-ribofuranosyl-4-pyrimidinecarboxylic acid4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-3-β-D-ribofuranosyl-

4-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-2,6-dioxo-3-b-D-ribofuranosyl-Uridin-6-carboxylic acidUNII-B350MC02GZ4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-3-ss-D-ribofuranosyl-; Orotidine (6CI,7CI,8CI); 1,2,3,6-Tetrahydro-2,6-dioxo-3-ss-D-ribofuranosyl-4-pyrimidinecarboxylic acid; 6-Carboxyuridine; Orotic acid ribosideOrotic acid ribosideOROTIDINE [MI]1,2,3,6-Tetrahydro-2,6-dioxo-3-beta-D-ribofuranosyl-4-pyrimidinecarboxylic acidSCHEMBL20894

물성

구조 계산 물성

XLogP: -2.6
극성 표면적: 157 Å²
수소 결합 공여자 수: 5
수소 결합 수용자 수: 8
회전 가능 결합 수: 3
무거운 원자 수: 20
형식 전하: 0
복잡도: 490

실험 및 물리화학적 성질

Melting Point> 400 °C

Physical DescriptionSolid

물리화학적 성질

녹는점: 400 °C · >400 °C
밀도: 1.847 · 1.847±0.06 g/cm3(Predicted)
저장 조건: 20 °C · −20°C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨), 물(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 2.62 · 2.62±0.20(Predicted)
색상: 흰색에서 황백색까지

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

안전 데이터

wgk: 3
HS 번호: 29349990

화학 및 산업

약리 정보

Tissue LocationsPlacenta

Cellular LocationsCytoplasm

응용 분야

용도Orotidine is a metabolite of Orotic Acid (O691500); a compound used in the preparation of therapeutic agents for chronic obstructive pulmonary disease (COPD) treatment.

공급사28 곳

北京华美互利生物化工010-56205725 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]

上海梅凯科技有限公司021-68689288 15300790979 · [email protected]

武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]

화합물 노트

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부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 314-50-1
표준 SMILES: O=C(O)c1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey: FKCRAVPPBFWEJD-XVFCMESISA-N
분자식: C10H12N2O8
평균 분자량: 288.21 g/mol
단동위원소 질량: 288.05936535

개요