4-Nitrophenyl-β-D-galaktopyranosid
2-(Hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol
Grundinformationen
- CAS
3150-24-1- Standard-SMILES
O=[N+]([O-])c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1- InChIKey
IFBHRQDFSNCLOZ-UHFFFAOYSA-N- Summenformel
- C12H15NO8
- Durchschnittliche Molmasse
- 301,25 g/mol
Überblick
See also: p-Nitrophenyl beta-D-galactopyranoside (annotation moved to).
Namen und Bezeichner
- Bevorzugter Name
- 2-(Hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol
- IUPAC
- 2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol
- Lokaler Name
- 4-Nitrophenyl-β-D-galaktopyranosid
- Englischer Name
- 4-Nitrophenyl-beta-D-galactopyranoside
- Summenformel
- C12H15NO8
- Molmasse
- 301.25
Namen und Synonyme
p-Nitrophenyl-beta-D-glucopyranoside2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol2-(hydroxymethyl)-6-(4-nitrophenoxy)tetrahydro-2H-pyran-3,4,5-triol7591-01-74-Nitrophenyl beta-D-galactoside-(1,5)PNP-alpha-D-Gal;PNP-alpha-D-Gal6-(hydroxymethyl)-2-(4-nitrophenoxy)-2H-3,4,5,6-tetrahydropyran-3,4,5-triolp-NITROPHENYL-beta-D-GALACTOPYRANOSIDEp-Nitrophenyl-.beta.-galactosidep-Nitrophenyl .beta.-D-galactosidep-Nitrophenyl ?-D-GalactopyranosideNSC-89287
Weitere Namen anzeigen
PNPGNSC 89287Gal-b-PNPPNP-BETA-D-GAL4-nitrophenylgalactosidePNP BETA-D-GALACTOPYRANOSIDE4-NITROPHENYL-B-D-GALACTOSIDE4-nitrophenyl-β-D-galactosidep-Nitrophenyl β-D-galactoside4-NITROPHENYL-BETA-D-GALACTOSIDE
p-Nitrophenyl .beta.-D-galactopyranoside.beta.-D-Galactopyranoside, 4-nitrophenylSCHEMBL4758741(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(4-nitrophenoxy)tetrahydropyran-3,4,5-triol(2R,3S,4S,5S,6S)-2-(Hydroxymethyl)-6-(4-nitrophenoxy)tetrahydropyran-3,4,5-triol4-Nitrophenyl-a-D-glucopyranoside4-Nitrophenyl-b-D-glucopyranoside4-Nitrophenyl-b-D-mannopyranoside
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,4
- Polarare Oberfläche (TPSA)
- 145 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 354
Physikochemische Eigenschaften
- Schmelzpunkt
- 178 · 178-182 °C
- Siedepunkt
- 442.39 °C · 442.39°C (rough estimate)
- Dichte
- 1.3709 · 1.3709 (rough estimate)
- Brechungsindex
- 1.52 · 1.5200 (estimate)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- Löslichkeit
- 11 mg/ml; · DMF: 11 mg/ml; DMSO: 10 mg/ml; Ethanol: Slightly soluble; PBS (pH 7.2): 0.09 mg/ml
- pka
- 12.55 · 12.55±0.70(Predicted)
- Aggregatzustand
- powder to crystal
- Farbe
- White to Almost white
- Wasserlöslichkeit
- Soluble in DMSO, Methanol, Water.
- BRN
- 92213 · 92213
- InChI
- 1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12-/m1/s1
- InChIKey
- IFBHRQDFSNCLOZ-AUCPDYOHSA-N
- SMILES
- OC[C@H]1O[C@@H](Oc2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@H]1O
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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 CategoriesEye Irrit. 2 (100%)
Sicherheitsdaten
- F
- 3-10-21
- wgk
- 3
- hs_code
- 29389090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25-36-26
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
Verwendenp-Nitrophenyl-β-D-galactopyranoside (cas# 3150-24-1) is a compound useful in organic synthesis.
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