Methyl beta-D-ribofuranoside

HCID 81983CAS 7473-45-2

기본 정보

표준 SMILES: CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey: NALRCAPFICWVAQ-KVTDHHQDSA-N
분자식: C6H12O5
평균 분자량: 164.16 g/mol
단동위원소 질량: 164.06847348

이름 및 식별자

우선 이름: Methyl beta-D-ribofuranoside
IUPAC: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
영어명: Methyl beta-D-ribofuranoside
분자식: C6H12O5
분자량: 164.16

이름 및 동의어

Methyl beta-D-ribofuranoside7473-45-2EINECS 231-271-5NSC 400285Methyl .beta.-D-ribofuranosideRefChem:157803231-271-5Methyl b-D-Ribofuranosidemethyl |A-d-ribofuranosideMFCD00047075methyl -d-ribofuranoside(2R,3S,4R,5R)-2-(hydroxymethyl)-5-methoxytetrahydrofuran-3,4-diol

이름 더 보기

Methyl β-D-RibofuranosideMethyl β-Xylobioside-Amino-β-Resorcylate1-ME-D-Ribose1-OME-BETA-D-RIB-D-Altropyranoside

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diolMethyl ?-D-Ribofuranoside(2R,3S,4R,5R)-2-(Hydroxymethyl)-5-methoxy-tetrahydrofuran-3,4-diolSCHEMBL271445Methyl beta-D-ribofuranoside, 97%AKOS006344687MS-20513Methyl pentofuranoside #

데이터베이스 식별자

CAS: 7473-45-2
PubChem CID: 81983
DTXSID: DTXSID301312174
EC Number: 231-271-5
Nikkaji: J278.878K

물성

구조 계산 물성

XLogP: -1.6
극성 표면적: 79.2 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 128

물리화학적 성질

녹는점: 78 °C · 78 °C
끓는 점: 348.7 · 348.7±42.0 °C(Predicted)
밀도: 1.4 · 1.40±0.1 g/cm3(Predicted)
굴절률: -51 ° · -51 ° (C=2, H2O)
저장 조건: 2 · Sealed in dry,2-8°C
용해도: 메탄올(약간 용해됨), 물(약간 용해됨, 초음파 처리)
산도 계수 (pKa): 13.14 · 13.14±0.70(Predicted)
물리적 상태: 가루
색상: 흰색에서 황백색까지
수용성: 물에 용해됨
InChI: InChI=1/C6H12O5/c1-10-6-5(9)4(8)3(2-7)11-6/h3-9H,2H2,1H3/t3-,4-,5-,6-/s3
InChIKey: NALRCAPFICWVAQ-QNEKUJPYNA-N
SMILES: [C@H]1(CO)O[C@@H](OC)[C@H](O)[C@@H]1O |&1:0,4,7,9,r|

화학적 성질

White Solid

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)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 Information.beta.-D-Ribofuranoside, methyl: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

규제 정보

Regulatory Information.beta.-D-Ribofuranoside, methyl: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
HS 번호: 29329990
safety_code: 24/25

화학 및 산업

응용 분야

용도D-Ribose was converted into methyl 5-O-benzyl-beta-D-ribofuranoside and this, on tin-mediated allylation, gave a mixture of the 2-O-allyl and 3-O-allyl derivatives which were separated by chromatography.