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

HCID 10950254

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Grundinformationen

CAS: 24404-53-3
Standard-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
Summenformel: C20H24O9S
Durchschnittliche Molmasse: 440,5 g/mol
Monoisotopische Masse: 440,11410351

Namen und Bezeichner

Bevorzugter Name: 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
Englischer Name: PHENYL 2,3,4,6-TETRA-O-ACETYL-1-THIO-BETA-D-GALACTOPYRANOSIDE
Summenformel: C20H24O9S
Molmasse: 440.46

Namen und Synonyme

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)

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 140 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 10
Frei drehbare Bindungen: 11
Schwere Atome: 30
Formalladung: 0
Komplexität: 632

Physikochemische Eigenschaften

Schmelzpunkt: 68 · 68-72℃
Siedepunkt: 514.6 · 514.6±50.0 °C(Predicted)
Dichte: 1.31 · 1.31±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Löslichkeit: slightly sol. in Chloroform
Aggregatzustand: Powder
Farbe: White to Off-white
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|