Uridine Diphosphate

HCID 6031CAS 58-98-0

기본 정보

표준 SMILES: O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1
InChIKey: XCCTYIAWTASOJW-XVFCMESISA-N
분자식: C9H14N2O12P2
평균 분자량: 404.16 g/mol
단동위원소 질량: 404.00219788

이름 및 식별자

우선 이름: Uridine Diphosphate
IUPAC: [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
영어명: UDP
분자식: C9H14N2O12P2
분자량: 404.16

이름 및 동의어

58-98-0URIDINE DIPHOSPHATEuridine-5'-diphosphateUridine PyrophosphateURIDINE_DIPHOSPHATE5G0F599A1YDTXSID001018933[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphateDiphosphate, UridinePyrophosphate, Uridine((2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl)methyl phosphono hydrogen phosphateRefChem:901480

이름 더 보기

uridinediphosphateUDP/Uridine DiphosphateUridine 5'-Diphosphate15'-URIDYLATE DIPHOSPHATE5′-UDP/Uridine 5′-Diphosphate5'-uridylate diphosphate (UDP)Uridine5'-Diphosphate Ester(UDP)uridine 5'-(trihydrogen pyrophosphate)

DTXCID501476946Uridine 5'-diphosphateUridine 5'-(trihydrogen diphosphate)UDP5'-UDPUridine 5'-pyrophosphate((2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphateUridine 5'-pyrophosphoric acid

데이터베이스 식별자

CAS: 58-98-0
PubChem CID: 6031
ChEMBL: CHEMBL130266
ChEBI: CHEBI:17659
UNII: 5G0F599A1Y
EC Number: 200-409-6
Nikkaji: J4.595K

물성

구조 계산 물성

XLogP: -4.7
극성 표면적: 212 Å²
수소 결합 공여자 수: 6
수소 결합 수용자 수: 12
회전 가능 결합 수: 6
무거운 원자 수: 25
형식 전하: 0
복잡도: 675

실험 및 물리화학적 성질

Physical DescriptionSolid

Collision Cross Section · 4건

174 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine]

176.5 Å² [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

181.7 Å² [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；178.6 Å² [M+Na-2H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；172.9 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；178.5 Å² [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；176.9 Å² [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

178.1 Å² [M+Na]+；176.5 Å² [M+H]+；178.7 Å² [M-2H+Na]-；172.9 Å² [M-H]-；181.7 Å² [M+Na]+

물리화학적 성질

저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
밀도: 2.002 · 2.002±0.06 g/cm3(Predicted)
산도 계수 (pKa): 1.04 · 1.04±0.50(Predicted)

안전 및 규제

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

약리 정보

Tissue LocationsPlacenta；Prostate；Thyroid Gland

Cellular LocationsCytoplasm；Endoplasmic reticulum；Extracellular；Golgi apparatus；Lysosome；Mitochondria；Nucleus

Metabolite Pathways · 1건

17-Beta Hydroxysteroid Dehydrogenase III Deficiency；Acetaminophen Metabolism Pathway；Acute Intermittent Porphyria；Amino Sugar Metabolism；Androgen and Estrogen Metabolism；Androstenedione Metabolism；Aromatase deficiency；Artemether Metabolism Pathway；Beta Ureidopropionase Deficiency；Celecoxib Action Pathway；Total 63 pathways, visit the HMDB page for details