5-아이오도우리딘

5-Iodouridine

HCID 1268108

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1024-99-3
표준 SMILES: O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1I
InChIKey: RKSLVDIXBGWPIS-UAKXSSHOSA-N
분자식: C9H11IN2O6
평균 분자량: 370.1 g/mol
단동위원소 질량: 369.96618

이름 및 식별자

우선 이름: 5-Iodouridine
IUPAC: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
현지명: 5-아이오도우리딘
영어명: 5-Iodouridine
분자식: C9H11IN2O6
분자량: 370.1

이름 및 동의어

5-Iodouridine1024-99-3YZK4KVC76PNSC-523375RefChem:102974213-833-1Uridine, 5-iodo-MFCD00006532C9H11IN2O6UNII-YZK4KVC76P1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione1-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-iodopyrimidine-2,4(1H,3H)-dione

이름 더 보기

5-아이오도우리딘5-아이오두우리딘85255-I-rU5-I-Ur5-Iodoruidine5-lodouridine5-Iodouridine 95%5-Iodouridine, >=99%

1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-iodopyrimidine-2,4(1H,3H)-dione1-((2R,3R,4S,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL)-5-IODO-1,2,3,4-TETRAHYDROPYRIMIDINE-2,4-DIONE1-(3,4-DIHYDROXY-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2-YL)-5-IODOPYRIMIDINE-2,4(1H,3H)-DIONE1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-1,2,3,4-tetrahydropyrimidine-2,4-dioneNSC 5233755-iodo-d-uridineEINECS 213-833-15-Iodouridine, 95%

데이터베이스 식별자

CAS: 1024-99-3
PubChem CID: 1268108
ChEMBL: CHEMBL3249838
UNII: YZK4KVC76P
EC Number: 213-833-1
Nikkaji: J93.353H

물성

구조 계산 물성

XLogP: -1.3
극성 표면적: 119 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 414

물리화학적 성질

녹는점: 205 · 205-207 °C (dec.) (lit.)
밀도: 2.27 · 2.27±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: Acetonitrile: Slightly solubleMethanol: SolubleWater: Slightly soluble
산도 계수 (pKa): 7.94 · 7.94±0.10(Predicted)
물리적 상태: 가루
색상: 하얀색
수용성: 물에 용해됩니다.
BRN: 33665 · 33665
InChI: InChI=1S/C9H11IN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1
InChIKey: RKSLVDIXBGWPIS-UAKXSSHOSA-N
SMILES: OC[C@H]1O[C@@H](N2C=C(I)C(=O)NC2=O)[C@H](O)[C@@H]1O

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS ClassificationNot Classified；Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesNot Classified

안전 데이터

wgk: 3
HS 번호: 29349990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-36/37/39-27-26
F 고인화성물질: 8-10
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도5-Iodouridine has shown to enhance the effect of gamma irradiation in hamster cells. It is used as catalytic agent, petrochemical additive, used in organic synthesis.