p-Nitrophenyl-α-D-xylopyranosid

p-Nitrophenyl alpha-D-xylopyranoside

HCID 82482CAS 10238-28-5

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Grundinformationen

Standard-SMILES: O=[N+]([O-])c1ccc(O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1
InChIKey: MLJYKRYCCUGBBV-LMLFDSFASA-N
Summenformel: C11H13NO7
Durchschnittliche Molmasse: 271,22 g/mol
Monoisotopische Masse: 271,06920176

Überblick

4-nitrophenyl alpha-D-xyloside is a xyloside that is alpha-D-xylopyranose in which the anomeric hydroxy hydrogen is replaced by a 4-nitrophenyl group. It has a role as a chromogenic compound. It is a xyloside and a C-nitro compound. It is functionally related to a 4-nitrophenol.

Namen und Bezeichner

Bevorzugter Name: p-Nitrophenyl alpha-D-xylopyranoside
IUPAC: (2R,3R,4S,5R)-2-(4-nitrophenoxy)oxane-3,4,5-triol
Lokaler Name: p-Nitrophenyl-α-D-xylopyranosid
Englischer Name: p-Nitrophenyl alpha-D-xylopyranoside
Summenformel: C11H13NO7
Molmasse: 271.22

Namen und Synonyme

10238-28-5p-Nitrophenyl alpha-D-xylopyranoside4-Nitrophenyl alpha-D-xylopyranoside4-nitrophenyl alpha-D-xylosideEINECS 233-572-7p-nitrophenyl alpha-D-xylosideCHEBI:90136RefChem:169362233-572-74-Nitrophenyl a-D-xylopyranosidep-Nitrophenyl |A-D-Xylopyranoside(2R,3R,4S,5R)-2-(4-Nitrophenoxy)tetrahydro-2H-pyran-3,4,5-triol

Weitere Namen anzeigen

XYL1-α-PNPXYL1-A-PNPXYL1-ALPHA-PNPPNP-α-D-xylosidePNP ALPHA-D-XYLOPYRANOSIDE4-Nitrophenyla-D-xylopyranosideP-NITROPHENYL A-D-XYLOPYRANOSIDE

MFCD00067649alpha-D-Xylopyranoside, 4-nitrophenyl(2R,3R,4S,5R)-2-(4-nitrophenoxy)oxane-3,4,5-triolp-Nitrophenyl-alpha-D-xylosideSCHEMBL110452AKOS026674381s11469(2R,3R,4S,5R)-2-(4-Nitrophenoxy)tetrahydropyran-3,4,5-triol

Datenbank-Bezeichner

CAS: 10238-28-5
PubChem CID: 82482
DTXSID: DTXSID10907450
ChEBI: CHEBI:90136
EC Number: 233-572-7
Nikkaji: J227.133H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,3
Polarare Oberfläche (TPSA): 125 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 2
Schwere Atome: 19
Formalladung: 0
Komplexität: 313

Physikochemische Eigenschaften

Schmelzpunkt: 170 · 170-172°C
Siedepunkt: 523.2 · 523.2±50.0 °C(Predicted)
Dichte: 1.597 · 1.597±0.06 g/cm3(Predicted)
storage temp.: 20 °C · −20°C
Löslichkeit: Methanol (Slightly), Water (Slightly)
Aggregatzustand: Solid
pka: 12.67 · 12.67±0.70(Predicted)
Farbe: White to Off-White
InChI: 1S/C11H13NO7/c13-8-5-18-11(10(15)9(8)14)19-7-3-1-6(2-4-7)12(16)17/h1-4,8-11,13-15H,5H2
InChIKey: MLJYKRYCCUGBBV-UHFFFAOYSA-N
SMILES: OC1COC(Oc2ccc(cc2)N(=O)=O)C(O)C1O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29400090
safety_code: 22-24/25
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

VerwendenA chromogenic substrate for alpha-xylosidase

Anbieter43 Anbieter

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A xyloside that is alpha-D-xylopyranose in which the anomeric hydroxy hydrogen is replaced by a 4-nitrophenyl group.

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