1,2,3,5-Tetraacetyl-beta-D-ribofuranose (HCID 83064)

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 물성

XLogP: 0.7
극성 표면적: 114 Å²
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

GHS 분류

GHS Classification · 6건

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

wgk: 3
HS 번호: 29400090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-36-26
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

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.