CAS 53008-65-4 Methyl 2,3,4-tri-O-benzyl-alpha-D-glucopyranoside (HCID 11190476)

기본 정보

CAS: 53008-65-4
표준 SMILES: CO[C@H]1O[C@H](CO)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIKey: MOKYEUQDXDKNDX-DFLSAPQXSA-N
분자식: C28H32O6
평균 분자량: 464.5 g/mol
단동위원소 질량: 464.21988874

이름 및 식별자

우선 이름: Methyl 2,3,4-tri-O-benzyl-alpha-D-glucopyranoside
IUPAC: [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
현지명: 메틸2,3,4-트리-O-벤질-알파-D-글루코피라노사이드
영어명: Methyl 2,3,4-tri-O-benzyl-alpha-D-glucopyranoside
분자식: C28H32O6
분자량: 464.55

이름 및 동의어

53008-65-4Methyl 2,3,4-Tri-O-benzyl-alpha-D-glucopyranosideDTXSID30458196RefChem:157202DTXCID60409015623-982-8MFCD06798958[(2R,3R,4S,5R,6S)-3,4,5-TRIS(BENZYLOXY)-6-METHOXYOXAN-2-YL]METHANOL((2R,3R,4S,5R,6S)-3,4,5-Tris(benzyloxy)-6-methoxytetrahydro-2H-pyran-2-yl)methanolMethyl 2,3,4-tri-O-benzyl-|A-D-glucopyranoside[(2R,3R,4S,5R,6S)-3,4,5-tribenzyloxy-6-methoxy-tetrahydropyran-2-yl]methanol[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol

이름 더 보기

메틸2,3,4-트리-O-벤질-알파-D-글루코피라노사이드-3,4,5-Tris(benzyloxy)-6-methoxytetrahydro-2H-pyran-2-yl)Methyl 2,3,4-Tri-O-benzyl-αMethyl 2,3,4-Tri-O-benzyl-α-D-glucopyranosideMethyl 2,3,4-tri-O-benzyl-α-D-glucopyranosideMethyl 2,3,4-tris-O-benzyl-α-D-glucopyranosideMethyl2,3,4-Tri-O-benzyl-α-D-glucopyranoside>METHYL 2,3,4-TRI-O-BENZYL-ALFA-D-GLUCOPYRANOSIDEMethyl 2,3,4-tris-O-(phenylmethyl)--a-D-glucopyranoside

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 66.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 11
무거운 원자 수: 34
형식 전하: 0
복잡도: 541

물리화학적 성질

녹는점: 67 °C · 67 °C
끓는 점: 593 · 593.0±50.0 °C(Predicted)
밀도: 1.2 · 1.20±0.1 g/cm3(Predicted)
굴절률: 24.5 ° · 24.5 ° (C=1, CHCl3)
저장 조건: -20 °C · Sealed in dry,Store in freezer, under -20°C
산도 계수 (pKa): 14.48 · 14.48±0.10(Predicted)
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
BRN: 1442065 · 1442065
InChIKey: MOKYEUQDXDKNDX-FAGPOLGCNA-N
SMILES: [C@H]1(OCC2C=CC=CC=2)[C@@H](OC)O[C@H](CO)[C@@H](OCC2=CC=CC=C2)[C@@H]1OCC1C=CC=CC=1 |&1:0,9,13,16,25,r|