5'-O-TERT-부틸디메틸실릴-티미딘

5'-O-tert-Butyldimethylsilylthymidine

HCID 10251259CAS 40733-28-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O
InChIKey: IJWIJLIIOKZJMS-YNEHKIRRSA-N
분자식: C16H28N2O5Si
평균 분자량: 356.49 g/mol
단동위원소 질량: 356.17674853

이름 및 식별자

우선 이름: 5'-O-tert-Butyldimethylsilylthymidine
IUPAC: 1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
현지명: 5'-O-TERT-부틸디메틸실릴-티미딘
영어명: 5'-O-tert-Butyldimethylsilyl-thymidine
분자식: C16H28N2O5Si
분자량: 356.49

이름 및 동의어

5'-O-tert-ButyldimethylsilylthymidineRefChem:527521807-001-240733-28-65'-O-TERT-BUTYLDIMETHYLSILYL-THYMIDINE5'-O-TBDMS-dTMFCD016310415'-O-(tert-Butyldimethylsilyl)thymidine1-((2R,4S,5R)-5-(((tert-butyldimethylsilyl)oxy)methyl)-4-hydroxytetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione1-[(2R,4S,5R)-5-{[(tert-butyldimethylsilyl)oxy]methyl}-4-hydroxyoxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione5'-O-[(1,1-Dimethylethyl)dimethylsilyl]thymidine

이름 더 보기

5'-O-TERT-부틸디메틸실릴-티미딘5'-TBDMS dT5′-O-TBS dT5’-O-TBDMS-thymidine5'-O-TBDMSoxy-thymidine5'-O-(t-Butyldimethylsilyl)thymidine5’-O-(tert-Butyldimethylsilyl)thymidine5'-O-tert-Butyldimethylsilylthymidine 97%

5'-o-tbdms-thymidineSCHEMBL888122orb1693121IJWIJLIIOKZJMS-YNEHKIRRSA-N5'-o-t-butyldimethylsilylthymidineDTXSID401239733LT0131AKOS037621905

데이터베이스 식별자

CAS: 40733-28-6
PubChem CID: 10251259
DTXSID: DTXSID401239733
EC Number: 807-001-2
Nikkaji: J406.690A

물성

구조 계산 물성

극성 표면적: 88.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 24
형식 전하: 0
복잡도: 555

물리화학적 성질

녹는점: 198 · 198
밀도: 1.148 · 1.148±0.06 g/cm3(Predicted)
저장 조건: 4 °C, · 4°C, protect from light
용해도: 100 mg/mL · DMSO : 100 mg/mL (280.51 mM; Need ultrasonic)
산도 계수 (pKa): 9.55 · 9.55±0.10(Predicted)
물리적 상태: 가루
색상: 하얀색
InChI: InChI=1S/C16H28N2O5Si/c1-10-8-18(15(21)17-14(10)20)13-7-11(19)12(23-13)9-22-24(5,6)16(2,3)4/h8,11-13,19H,7,9H2,1-6H3,(H,17,20,21)/t11-,12+,13+/m0/s1
InChIKey: IJWIJLIIOKZJMS-YNEHKIRRSA-N
SMILES: O([Si](C(C)(C)C)(C)C)C[C@H]1O[C@@H](N2C=C(C)C(=O)NC2=O)C[C@@H]1O

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.