기본 정보
- CAS
32780-06-6- 표준 SMILES
O=C1CC[C@@H](CO)O1- InChIKey
NSISJFFVIMQBRN-BYPYZUCNSA-N- 분자식
- C5H8O3
- 평균 분자량
- 116.11 g/mol
- 단동위원소 질량
- 116.04734412
개요
See also: (5R)-Dihydro-5-(hydroxymethyl)-2(3H)-furanone (annotation moved to).
이름 및 식별자
- 우선 이름
- (S)-(+)-gamma-Hydroxymethyl-gamma-butyrolactone
- IUPAC
- (5S)-5-(hydroxymethyl)oxolan-2-one
- 영어명
- (S)-5-Hydroxymethyldihydrofuran-2-one
- 분자식
- C5H8O3
- 분자량
- 116.12
이름 및 동의어
(S)-(+)-gamma-Hydroxymethyl-gamma-butyrolactoneRefChem:407632680-050-332780-06-6(s)-5-(hydroxymethyl)dihydrofuran-2(3h)-one(5S)-5-(hydroxymethyl)oxolan-2-one(S)-(+)-Dihydro-5-(hydroxymethyl)furanone(s)-5-hydroxymethyldihydrofuran-2-one(S)-(+)-Dihydro-5-(hydroxymethyl)-2(3H)-furanoneMFCD00066224(S)-(+)-5-Hydroxymethyltetrahydro-2-furanone(S)-(+)-4,5-Dihydro-5-hydroxymethyl-2(3H)-furanone
이름 더 보기
5-(Hydroxymethyl)dihydro-2(3H)-furanone(S)-(+)-γ-Hydroxymethyl-γ(S)-Gamma-Hydroxymethyl-Gamma(s)-γ-hydroxymethyl-γ-butyrolactone(S)-5-Hydroxymethyldihydrofuran-2-on(S)-(+)-G-HYDROXYMETHYL-G-BUTYROLACTONE(S)-5-HYDROXYMETHYL-DIHYDRO-FURAN-2-ONE
(s)-5-(hydroxymethyl)-dihydrofuran-2(3h)-one(5S)-(+)-5-(Hydroxymethyl)dihydrofuran-2(3H)-one(S)-(+)-2',3'-Dideoxyribonolactone(s)-4-hydroxymethyl butyrolactone2(3H)-Furanone, dihydro-5-(hydroxymethyl)-, (5S)-5-(Hydroxymethyl)dihydro-2(3H)-furanone #(S)-5-Hydroxymethyl-2-oxotetrahydrofuran(S)-4,5-Dihydro-5-hydroxymethyl-2(3H)-furanone
물성
구조 계산 물성
- XLogP
- -0.4
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 99.8
물리화학적 성질
- 녹는점
- 72 · 72-74 °C
- 끓는 점
- 110 · 110-115 °C/0.2 mmHg (lit.)
- 밀도
- 1.237 g/mL · 1.237 g/mL at 25 °C (lit.)
- 굴절률
- 1.47 · 1.47
- 인화점
- 113 °C · 113 °C - closed cup
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 14.12 · 14.12±0.10(Predicted)
- 물리적 상태
- clear liquid
- 색상
- Colorless to Almost colorless
- BRN
- 1680284 · 1680284
- InChI
- 1S/C5H8O3/c6-3-4-1-2-5(7)8-4/h4,6H,1-3H2/t4-/m0/s1
- InChIKey
- NSISJFFVIMQBRN-BYPYZUCNSA-N
- SMILES
- OC[C@@H]1CCC(=O)O1
- NIST
- -2 · (S)-(+)-2',3'-dideoxyribonolactone(32780-06-6)
화학적 성질
Colorless to light yellow liqui
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (94.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 19 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (94.7%)
안전 데이터
- wgk
- 3
- HS 번호
- 29322090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 23-24/25-37/39-26
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
용도(S)-(+)-Dihydro-5-(hydroxymethyl)-2(3H)-furanone can be used as a chiral synthon to synthesize:Potent nucleoside, acetylcholine, and (+)-muricatacin analogs.Mevinic acids, which are LDL cholesterol-lowering agents.Adenine based anti-HIV agent named β-F-ddA.
일반 설명Dihydro-5-(hydroxymethyl)-2(3H)-furanone is a chiral building block widely used in the synthesis of many natural products and few biologically significant compounds like anti-HIV dideoxynucleosides. It is also used in the synthesis of optically active ligands.
상·하류 제품 정보
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