Phenyl 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-galactopyranoside

HCID 10950254

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 24404-53-3
표준 SMILES: CC(=O)OC[C@H]1O[C@@H](Sc2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O
InChIKey: JCKOUAWEMPKIAT-CXQPBAHBSA-N
분자식: C20H24O9S
평균 분자량: 440.5 g/mol
단동위원소 질량: 440.11410351

이름 및 식별자

우선 이름: Phenyl 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-galactopyranoside
IUPAC: [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-phenylsulfanyloxan-2-yl]methyl acetate
영어명: PHENYL 2,3,4,6-TETRA-O-ACETYL-1-THIO-BETA-D-GALACTOPYRANOSIDE
분자식: C20H24O9S
분자량: 440.46

이름 및 동의어

Phenyl 2,3,4,6-Tetra-O-acetyl-1-thio-beta-D-galactopyranosideDTXSID50449440RefChem:1095000DTXCID8040026124404-53-3(2R,3S,4S,5R,6S)-2-(Acetoxymethyl)-6-(phenylthio)tetrahydro-2H-pyran-3,4,5-triyl triacetate[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-phenylsulfanyloxan-2-yl]methyl acetatePhenyl 2,3,4,6-tetra-O-acetyl-b-D-thiogalactopyranosideD92135Phenyl 2,3,4,6-Tetra-O-acetyl-1-thio-|A-D-galactopyranosideMFCD06657849Phenyl 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-galactopyranoside, 95% (HPLC)

이름 더 보기

Phenyl 2,3,4,6-Tetra-O-acetyl-1-thio-β-D-galactopyranoside-6-(phenylthio)(2R,3S,4S,5R,6S)Phenyl2,3,4,6-tetra-O-acetyl-b-D-thiogalactopyranoside2,3,4,6-O-Tetra-O-acetyl-1-thio--β-D-galactopyranosidePhenyl 2,3,4,6-tetra-O-acetyl-β-D-thiogalactopyranoside.beta.-D-Galactopyranoside, phenyl 1-thio-, tetraacetateβ-D-Galactopyranoside, phenyl 1-thio-2,3,4,6-tetraacetatePhenyl-2,3,4,6-tetra-O-acetyl-1-thio-β-D-galactopyranosid

[(2R,3S,4S,5R,6S)-3,4,5-triacetoxy-6-phenylsulfanyl-tetrahydropyran-2-yl]methyl acetate[(2R,3S,4S,5R,6S)-3,4,5-TRIS(ACETYLOXY)-6-(PHENYLSULFANYL)OXAN-2-YL]METHYL ACETATEPhenyl-tetra-O-acetyl-thio-beta-D-galactopyranosideorb2941781SCHEMBL1170779TSW-00250AKOS025294977HY-W145582

데이터베이스 식별자

CAS: 24404-53-3
PubChem CID: 10950254
DTXSID: DTXSID50449440
Nikkaji: J924.905B

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 140 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 10
회전 가능 결합 수: 11
무거운 원자 수: 30
형식 전하: 0
복잡도: 632

물리화학적 성질

녹는점: 68 · 68-72℃
끓는 점: 514.6 · 514.6±50.0 °C(Predicted)
밀도: 1.31 · 1.31±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: slightly sol. in Chloroform
물리적 상태: 가루
색상: 흰색에서 황백색까지
InChI: InChI=1/C20H24O9S/c1-11(21)25-10-16-17(26-12(2)22)18(27-13(3)23)19(28-14(4)24)20(29-16)30-15-8-6-5-7-9-15/h5-9,16-20H,10H2,1-4H3/t16-,17+,18+,19-,20+/s3
InChIKey: JCKOUAWEMPKIAT-PDRTUUFJNA-N
SMILES: [C@H]1(OC(C)=O)[C@H](SC2C=CC=CC=2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |&1:0,5,14,20,25,r|

화학적 성질

solid

안전 및 규제

안전 데이터

wgk: 3
HS 번호: 29389090
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

응용 분야

용도Phenyl 2,3,4,6-tetra-O-acetyl-1-thio-β-D-galactopyranoside is an intermediate used in the preparation of nucleosides.

공급사81 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

河南多贝化工有限公司0370-6999054 17550096163 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

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