9-(2-Hydroxypropyl)adenine, (R)-

HCID 445211CAS 14047-28-0

기본 정보

표준 SMILES: C[C@@H](O)Cn1cnc2c(N)ncnc21
InChIKey: MJZYTEBKXLVLMY-RXMQYKEDSA-N
분자식: C8H11N5O
평균 분자량: 193.21 g/mol
단동위원소 질량: 193.09635997

이름 및 식별자

우선 이름: 9-(2-Hydroxypropyl)adenine, (R)-
IUPAC: (2R)-1-(6-aminopurin-9-yl)propan-2-ol
영어명: (R)-(+)-9-(2-Hydroxypropyl)adenine
분자식: C8H11N5O
분자량: 193.21

이름 및 동의어

14047-28-0(R)-9-(2-Hydroxypropyl)adenine(R)-1-(6-Amino-9H-purin-9-yl)propan-2-ol9H-Purine-9-ethanol, 6-amino-alpha-methyl-, (alphaR)-9-(2-Hydroxypropyl)adenine, (R)-43H6SBP55WR-9-(2-hydroxypropyl)adenineR-9-(2-hydroxypropyl)adenine [WHO-DD]9H-Purine-9-ethanol, 6-amino-alpha-methyl-, D-9H-Purine-9-ethanol, 6-amino-alpha-methyl-, (R)-9H-PURINE-9-ETHANOL, 6-AMINO-.ALPHA.-METHYL-, D-9H-PURINE-9-ETHANOL, 6-AMINO-.ALPHA.-METHYL-, (.ALPHA.R)-

이름 더 보기

Tenofovir Impurity 91(R)-9-(2-HydroxypropyLTenofovir alafenamide-30Tenofovir Impurity 1 CRSIntermediate of TenofovirMJZYTEBKXLVLMY-RXMQYKEDSA-NTenofovir Related Compound 11(R)-9-(2-Hydroxypropyl)ademineTenofovir (R)-Propanol Impurity9-[(2R)-2-Hydroxypropyl]adenine

(alphaR)-6-Amino-alpha-methyl-9H-purine-9-ethanol9H-PURINE-9-ETHANOL, 6-AMINO-.ALPHA.-METHYL-, (R)-RefChem:549068108-862-0604-188-0(R)-(+)-9-(2-HYDROXYPROPYL)ADENINE(2R)-1-(6-aminopurin-9-yl)propan-2-olMFCD07369451

데이터베이스 식별자

CAS: 14047-28-0
PubChem CID: 445211
DTXSID: DTXSID20332178
UNII: 43H6SBP55W
EC Number: 108-862-0、604-188-0
Nikkaji: J3.287.859H

물성

구조 계산 물성

XLogP: -0.4
극성 표면적: 89.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 202

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

녹는점: 193 °C · 193 °C
끓는 점: 457.7 · 457.7±55.0 °C(Predicted)
밀도: 1.57 · 1.57
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
용해도: DMSO(약간 용해됨), 에탄올(약간 용해됨), 메탄올(약간 용해됨, 가열)
물리적 상태: 고체
산도 계수 (pKa): 14.42 · 14.42±0.20(Predicted)
색상: 흰색에서 황백색까지
InChI: InChI=1/C8H11N5O/c1-5(14)2-13-4-12-6-7(9)10-3-11-8(6)13/h3-5,14H,2H2,1H3,(H2,9,10,11)/t5-/s3
InChIKey: MJZYTEBKXLVLMY-GQMHJJTINA-N
SMILES: N1(C[C@@H](C)O)C=NC2C(=NC=NC1=2)N |&1:2,r|

화학적 성질

white powde

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

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

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

유해성 정보

Hazard Classes and Categories · 2건

Skin Irrit. 2 (100%)

Acute Tox. 4 (100%)

안전 데이터

HS 번호: 2933.99.8290

화학 및 산업

응용 분야

용도(R)-9-[2-(Hydroxypropyl] Adenine (Desphosphoryl Tenofovir) (cas# 14047-28-0) is a useful reagent for preparing the antiviral drug tenofovir.

상·하류 제품 정보

상류 원료

6H-퓨린-6-이민,1,7-디하이드로-(9CI)아데닌 (R)-1-(6-chloro-9H-purin-9-yl)propan-2-ol 테노포비르디소프록실관련화합물B(10mg)((E)-9-(프로프-1-에닐)-9H-퓨린-6-아민)(R)-(+)-Propylene oxide (R)-(+)-Propylene carbonate N,N-다이메틸폼아마이드 수산화나트륨

공급사50 곳

T&W GROUP021-61551611 13296011611 · [email protected]

河北立业化学制品有限公司0310-6697998 13930001710 · [email protected]

北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]

武汉易泰科技有限公司上海分公司18930552037 · [email protected]

上海德默医药科技有限公司400-021-7337 2355568890 · [email protected]

연결된 노트

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