2,3,4,6-테트라-오-아세틸-알파-D-글루코피라노실트리클로로아세트이미데이트

alpha-D-Glucopyranose, 2,3,4,6-tetraacetate 1-(2,2,2-trichloroethanimidate)

HCID 10896298

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 74808-10-9
표준 SMILES: CC(=O)OC[C@H]1O[C@H](OC(=N)C(Cl)(Cl)Cl)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIKey: IBUZGVQIKARDAF-RKQHYHRCSA-N
분자식: C16H20Cl3NO10
평균 분자량: 492.7 g/mol
단동위원소 질량: 491.01527888

이름 및 식별자

우선 이름: alpha-D-Glucopyranose, 2,3,4,6-tetraacetate 1-(2,2,2-trichloroethanimidate)
IUPAC: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(2,2,2-trichloroethanimidoyl)oxyoxan-2-yl]methyl acetate
현지명: 2,3,4,6-테트라-오-아세틸-알파-D-글루코피라노실트리클로로아세트이미데이트
영어명: 2,3,4,6-Tetra-O-acetyl-alpha-D-glucopyranosyl trichloroacetimidate
분자식: C16H20Cl3NO10
분자량: 492.68

이름 및 동의어

74808-10-9alpha-D-Glucopyranose, 2,3,4,6-tetraacetate 1-(2,2,2-trichloroethanimidate)RefChem:10764812,3,4,6-Tetra-O-acetyl-alpha-D-glucopyranosyl Trichloroacetimidate2,3,4,6-tetra-o-acetyl-a-d-glucopyranosyl trichloroacetimidate[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(2,2,2-trichloroethanimidoyl)oxyoxan-2-yl]methyl acetate(2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-(2,2,2-trichloro-1-iminoethoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetateC16H20Cl3NO10MFCD098700302,3,4,6-tetra-O-acetyl-1-O-(2,2,2-trichloroethanimidoyl)-alpha-D-glucopyranose2,3,4,6-Tetra-O-acetyl-|A-D-glucopyranosyl TrichloroacetimidateMFCD07369653

이름 더 보기

2,3,4,6-테트라-오-아세틸-알파-D-글루코피라노실트리클로로아세트이미데이트2,3,4,6-TETRA-O-ACETYL-ALPHA-D-GLUCOPYRANOSYL TRICHLOROACETIMIDIATEO-(2,3,4,6-TETRA-O-ACETYL-ALPHA-D-GLUCOPYRANOSYL)-TRICHLORACETIMIDATEα-D-Glucopyranose 2,3,4,6-Tetraacetate 1-(2,2,2-TrichloroethaniMidate)α-D-Glucopyranose, 2,3,4,6-tetraacetate 1-(2,2,2-trichloroethanimidate)2,3,4,6-Tetra-O-acetyl-1-(2,2,2-trichloroethanimidate)-α- D -glucopyranoside2,3,4,6-Tetra-O-acetyl-α-D-glucopyranosyl Trichloroacetimidateoroacetimidatealpha-?D-?Glucopyranose, 2,?3,?4,?6-?tetraacetate 1-?(2,?2,?2-?trichloroethanimidat?e)(2R,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(2,2,2-trichloroethanimidoyl)oxy]oxan-2-yl]methyl acetate

IBUZGVQIKARDAF-RKQHYHRCSA-NSCHEMBL4178272,3,4,6-Tetra-O-acetyl-?-D-glucopyranosyl Trichloroacetimidateorb2944113DTXSID60447497GEO-04520TCL-00045AKOS027326500

데이터베이스 식별자

CAS: 74808-10-9
PubChem CID: 10896298
DTXSID: DTXSID60447497
Nikkaji: J741.882E

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 148 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 11
회전 가능 결합 수: 11
무거운 원자 수: 30
형식 전하: 0
복잡도: 695

물리화학적 성질

녹는점: 66 · 66-68 °C
끓는 점: 463.3 · 463.3±55.0 °C(Predicted)
밀도: 1.55 · 1.55±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
용해도: Chloroform (Slightly), Dichloromethane (Slightly), DMSO (Slightly), Ethyl Acetate
물리적 상태: Gel to Sticky Solid
산도 계수 (pKa): 1.39 · 1.39±0.70(Predicted)
색상: 무색~연황색
안정성: 흡습성, 수분 민감성
InChI: InChI=1/C16H20Cl3NO10/c1-6(21)25-5-10-11(26-7(2)22)12(27-8(3)23)13(28-9(4)24)14(29-10)30-15(20)16(17,18)19/h10-14,20H,5H2,1-4H3/t10-,11-,12+,13-,14-/s3
InChIKey: IBUZGVQIKARDAF-JOAVLQHANA-N
SMILES: O([C@H]1[C@@H]([C@@H](COC(=O)C)O[C@H](OC(=N)C(Cl)(Cl)Cl)[C@@H]1OC(=O)C)OC(=O)C)C(=O)C |&1:1,2,3,10,18,r|

화학적 성질

Pale Yellow Low Melting Solid

화학 및 산업

응용 분야

용도2,3,4,6-Tetra-O-acetyl-α-D-glucopyranosyl Trichloroacetimidate is a useful reagent for the synthesis of natural glycosides (Isosyringinoside and glucopyranosyL-glucopyranosyl-hydroxy phenylethanol I).