(2R,3S,4S,5S)-5-(acetoxymethyl)tetrahydrofuran-2,3,4-triyl triacetate

HCID 908100CAS 144490-03-9

기본 정보

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-CYDGBPFRSA-N
분자식: C13H18O9
평균 분자량: 318.28 g/mol
단동위원소 질량: 318.09508215

이름 및 식별자

우선 이름: (2R,3S,4S,5S)-5-(acetoxymethyl)tetrahydrofuran-2,3,4-triyl triacetate
IUPAC: [(2S,3S,4S,5R)-3,4,5-triacetyloxyoxolan-2-yl]methyl acetate
영어명: 1,2,3,5-Tetra-O-acetyl-beta-L-ribofuranose
분자식: C13H18O9
분자량: 318.28

이름 및 동의어

(2R,3S,4S,5S)-5-(Acetoxymethyl)tetrahydrofuran-2,3,4-triyl triacetatebeta-L-Ribofuranose, 1,2,3,5-tetraacetateRefChem:397580604-419-5144490-03-91,2,3,5-Tetra-O-acetyl-beta-L-ribofuranose1,2,3,5-Tetra-O-acetyl-b-L-ribofuranose[(2S,3S,4S,5R)-3,4,5-triacetyloxyoxolan-2-yl]methyl acetateMFCD07698606b-L-Ribofuranose, tetraacetate[(2S,3S,4S,5R)-3,4,5-tris(acetyloxy)oxolan-2-yl]methyl acetate1,2,3,5-Tetra-O-acetyl--L-ribofuranose

이름 더 보기

1,2,3,5-Tetra-O-acetyl β-L-RibofuranoseIntermediate of MaribavirΒ-L-RIBOFURANOSE,1,2,3,5-TETRAACETATEb-L-Ribofuranose,1,2,3,5-tetraacetate

1,2,3,5-Tetra-O-Acetyl |A-L-Ribofuranose1,2,3,5-tetra-O-acetyl-L-ribofuranoseC13H18O9beta-L-Ribofuranose tetraacetateTetraacetyl-L-Ribose3XP3DCY92QBETA-L-RIBOFURANOSE 1,2,3,5-TETRAACETATESCHEMBL3313146

데이터베이스 식별자

CAS: 144490-03-9
PubChem CID: 908100
DTXSID: DTXSID10358660
UNII: 3XP3DCY92Q
EC Number: 604-419-5
Nikkaji: J1.707.046K

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: 80 · 80-83 °C
끓는 점: 385.6 · 385.6±42.0 °C(Predicted)
밀도: 1.29 · 1.29±0.1 g/cm3(Predicted)
저장 조건: Refrigerator
용해도: 클로로포름(소량으로 용해), 메탄올(약간 용해됨), 피리딘(약간 용해됨)
물리적 상태: 가루
색상: 흰색에서 황백색까지
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: IHNHAHWGVLXCCI-RVLAKFOANA-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

White solid

안전 및 규제

GHS 분류

GHS ClassificationNot Classified；Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesNot Classified

안전 데이터

wgk: 3
HS 번호: 29400090
safety_code: 24/25
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도1,2,3,5-Tetra-O-acetyl β-L-Ribofuranose is an isomer of 1,2,3,5-Tetra-O-acetyl β-D-Ribofuranose (T283100) which 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.