5-Iodo-2',3'-dideoxyuridine

HCID 451862CAS 105784-83-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=c1[nH]c(=O)n([C@H]2CC[C@@H](CO)O2)cc1I
InChIKey: OBGFSDPYSQAECJ-CAHLUQPWSA-N
분자식: C9H11IN2O4
평균 분자량: 338.1 g/mol
단동위원소 질량: 337.97635483

개요

antiviral; structure in first source

이름 및 식별자

우선 이름: 5-Iodo-2',3'-dideoxyuridine
IUPAC: 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
영어명: 5-IODO-2',3'-DIDEOXYURIDINE
분자식: C9H11IN2O4
분자량: 338.1

이름 및 동의어

5-Iodo-2',3'-dideoxyuridineRefChem:913474105784-83-62',3'-Dideoxy-5-iodouridine1-((2R,5S)-5-(Hydroxymethyl)tetrahydrofuran-2-yl)-5-iodopyrimidine-2,4(1H,3H)-dioneUridine, 2',3'-dideoxy-5-iodo-5-I-ddUMFCD000748771-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dioneHY-W0484762',3'-Dideoxy-5-iodouridine, 97%2 inverted exclamation marka,3 inverted exclamation marka-Dideoxy-5-iodouridine

이름 더 보기

IddU5-Iodo-2',3'-Dideoxy-D-Uridine5-Iodo-2’,3’-dideoxyuridine, , IddU5-IODO-2',3'-DIDEOXYURIDINE USP/EP/BP2′,3′-Dideoxy-5-iodouridine, CAS 105784-83-61-[5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-iododihydropyrimidine-2,4(1H,3H)-dione

D720981-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-iodo-pyrimidine-2,4-dionedideoxy-5-iodouridineBIDD:GT0256orb1679931SCHEMBL2043148CHEMBL2112135SCHEMBL10379038

데이터베이스 식별자

CAS: 105784-83-6
PubChem CID: 451862
DTXSID: DTXSID00147343
ChEMBL: CHEMBL2112135
Nikkaji: J1.243.901F

물성

구조 계산 물성

XLogP: -1.4
극성 표면적: 78.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 357

물리화학적 성질

녹는점: 176 °C · 176 °C (dec.)(lit.)
밀도: 2.02 · 2.02±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 7.94 · 7.94±0.10(Predicted)
물리적 상태: Solid
색상: White to off-white
BRN: 5956836 · 5956836
InChI: InChI=1S/C9H11IN2O4/c10-6-3-12(9(15)11-8(6)14)7-2-1-5(4-13)16-7/h3,5,7,13H,1-2,4H2,(H,11,14,15)/t5-,7+/m0/s1
InChIKey: OBGFSDPYSQAECJ-CAHLUQPWSA-N
SMILES: OC[C@H]1O[C@@H](N2C=C(I)C(=O)NC2=O)CC1

화학적 성질

White powder

안전 및 규제

안전 데이터

wgk: 3
HS 번호: 29349990
safety_code: 22-24/25
F 고인화성물질: 8-9
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2′,3′-Dideoxy-5-iodouridine (5-Iodo-2′,3′-dideoxyuridine) was used in preparation of fluorescence-tagged chain-terminating reagents, T-526, for rapid DNA sequencing.

일반 설명2′,3′-Dideoxy-5-iodouridine is commonly used as research tool for antiviral and anticancer studies.