1,2,3,5-Tetraacetyl-beta-D-ribofuranose
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기본 정보
- CAS
13035-61-5- 표준 SMILES
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O- InChIKey
IHNHAHWGVLXCCI-FDYHWXHSSA-N- 분자식
- C13H18O9
- 평균 분자량
- 318.28 g/mol
- 단동위원소 질량
- 318.09508215
이름 및 식별자
- 우선 이름
- 1,2,3,5-Tetraacetyl-beta-D-ribofuranose
- IUPAC
- [(2R,3R,4R,5S)-3,4,5-triacetyloxyoxolan-2-yl]methyl acetate
- 영어명
- beta-D-Ribofuranose 1,2,3,5-tetraacetate
- 분자식
- C13H18O9
- 분자량
- 318.28
이름 및 동의어
1,2,3,5-Tetraacetyl-beta-D-ribofuranoseEINECS 235-898-5beta-D-Ribofuranose, tetraacetateNSC 18738beta-D-Ribofuranose, 1,2,3,5-tetraacetateRefChem:410632235-898-513035-61-5beta-D-Ribofuranose 1,2,3,5-tetraacetate1,2,3,5-tetra-O-Acetyl-beta-D-ribofuranoseTetra-O-acetyl-beta-D-ribofuranoseMFCD00005358
이름 더 보기
TETRAACETYLRIBOFURANOSEbeta-D-Ribofuranose1,2,3,5-Tetraacetate1,2,3,5-Tetra-O-acetyl-β-D-ribofuranose1,2,3,5-tera-O-acetyl-beta-D-ribofuranoseBETA-D-RIBOFURANOSE 1,2,3,5-TETRA-O-ACETATE
(2S,3R,4R,5R)-5-(acetoxymethyl)tetrahydrofuran-2,3,4-triyl triacetate1,2,3,5-Tetraacetyl-.-d-ribofuranoseDTXSID9057632[(2R,3R,4R,5S)-3,4,5-triacetyloxyoxolan-2-yl]methyl acetate[(2R,3R,4R,5S)-3,4,5-triacetoxytetrahydrofuran-2-yl]methyl acetate1,2,3,5-Tetraacetyl-ss-D-ribofuranosebeta-d-ribofuranose-1,2,3,5-tetraacetate.beta.-D-Ribofuranose, tetraacetate
데이터베이스 식별자
- CAS
13035-61-5- PubChem CID
- 83064
- DTXSID
DTXSID9057632- ChEMBL
CHEMBL3183254- UNII
- LVQ7CQ9SBR
- EC Number
- 235-898-5
- Nikkaji
- J259C
물성
구조 계산 물성보충 중
- XLogP
- 0.7
- 극성 표면적
- 114 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 458
물리화학적 성질
- 녹는점
- 81 · 81-83 °C(lit.)
- 끓는 점
- 417.45 °C · 417.45°C (rough estimate)
- 밀도
- 1.4171 · 1.4171 (rough estimate)
- 굴절률
- -14.5 ° · -14.5 ° (C=5, MeOH)
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
- 물리적 상태
- 결정성 분말
- 색상
- 흰색에서 거의 흰색
- BRN
- 94078 · 94078
- InChI
- InChI=1/C13H18O9/c1-6(14)18-5-10-11(19-7(2)15)12(20-8(3)16)13(22-10)21-9(4)17/h10-13H,5H2,1-4H3/t10-,11-,12-,13-/s3
- InChIKey
- TTXVPMATRDJQIA-BKUVIOGVSA-N
- SMILES
- [C@@H]1(OC(=O)C)[C@@H](COC(=O)C)O[C@@H](OC(=O)C)[C@@H]1OC(=O)C |&1:0,5,12,17,r|
화학적 성질
beta-D-Ribofuranose 1,2,3,5-tetraacetate is white to almost white crystalline powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 72.7% (8 of 11) of all reports.
Warning
H315 (27.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (27.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (27.3%): 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)
Aggregated GHS information provided per 11 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 8 of 11 reports by companies.；There are 3 notifications provided by 3 of 11 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory InformationStatus: Active Update: 18-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26235
Hazard Classes and CategoriesSkin Irrit. 2 (27.3%)；Eye Irrit. 2 (27.3%)；STOT SE 3 (27.3%)
규제 정보
Regulatory InformationStatus: Active Update: 18-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26235
안전 데이터
화학 및 산업
응용 분야
개요beta-D-Ribofuranose 1,2,3,5-tetraacetate is an acetylated derivative of ribose extensively used in carbohydrate research and synthetic chemistry. This compound features acetyl groups protecting the hydroxyl functionalities at positions 1, 2, 3, and 5 of the ribofuranose ring, which enhances its stability and solubility in organic solvents. β-D-Ribofuranose 1,2,3,5-tetraacetate is a crucial intermediate in synthesising nucleosides, nucleotides, and other complex carbohydrates. In research, it is utilized to study glycosylation mechanisms, focusing on the formation and stereochemistry of glycosidic bonds.
용도beta-D-Ribofuranose 1,2,3,5-tetraacetate is used in the synthesis of 3-(β-D-ribofuranosyl)-2,3-dihydro-6H-1,3-oxazine-2,6-dione, a new pyrimidine nucleoside analog related to uridine.
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