4-O-β-D-Galaktopyranosyl-α-D-glucopyranose

alpha-D-lactose

HCID 84571CAS 10039-26-6

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Grundinformationen

Standard-SMILES: OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O
InChIKey: GUBGYTABKSRVRQ-XLOQQCSPSA-N
Summenformel: C12H22O11
Durchschnittliche Molmasse: 342,3 g/mol
Monoisotopische Masse: 342,11621152

Überblick

Alpha-lactose is the alpha-anomer of lactose.

Namen und Bezeichner

Bevorzugter Name: alpha-D-lactose
IUPAC: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
Englischer Name: Lactose, monohydrate
Summenformel: C12H22O11.H2O
Molmasse: 360.31

Namen und Synonyme

alpha-lactose14641-93-1alpha-D-lactosealpha-D-Glucopyranose, 4-O-beta-D-galactopyranosyl-MJF4JAT10B(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triolCHEBI:36219DTXSID50873004beta-D-galactopyranosyl-(1->4)-alpha-D-glucopyranose(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(((2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy)oxane-3,4,5-triol(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-((2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl)oxyoxane-3,4,5-triol

Weitere Namen anzeigen

L-CYSTEINE HYDROCHLORIDEMILK SUGARMonohydrate LactoseLACTOSE BPLACTOSUM MONOHYDRICUMMILK SUGAR MONOHYDRATELACTOSE MONOHYDRATE USPAROSE 25Ph.Eur.,USPLACTOSE 1H2O

RefChem:555805GlyTouCan:G88362QRDTXCID30820516G88362QR238-691-8(2S,3R,4R,5S,6R)-6-(Hydroxymethyl)-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2,3,4-triol4-O-beta-D-Galactopyranosyl-alpha-D-glucopyranoseA-MILK SUGAR

Datenbank-Bezeichner

CAS: 10039-26-6、14641-93-1、63-42-3、64044-51-5
PubChem CID: 84571
DTXSID: DTXSID50873004
ChEBI: CHEBI:36219
UNII: MJF4JAT10B
EC Number: 238-691-8
Nikkaji: J241.337J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -4,7
Polarare Oberfläche (TPSA): 190 Å²
H-Brücken-Donoren: 8
H-Brücken-Akzeptoren: 11
Frei drehbare Bindungen: 4
Schwere Atome: 23
Formalladung: 0
Komplexität: 382

Experimentelle und physikochemische Eigenschaften

Solubility195 mg/mL at 20 °C

Melting Point201 - 202 °C

Physical DescriptionSolid

Collision Cross Section · 2 Einträge

186.3 Å² [M+Li]+ [CCS Type: DT; Method: stepped-field]

178.6 Å² [M+K]+

Physikochemische Eigenschaften

Schmelzpunkt: 215 °C · ~215 °C (dec.)
Dichte: 500 kg/m3 · 500kg/m3
storage temp.: room temp
Löslichkeit: 2 O: · H2O: 0.5 M at 20 °C, clear, colorless
Aggregatzustand: Solid
Farbe: white
PH: 4 · 4.0-6.5 (20°C, 100g/L in water)
Wasserlöslichkeit: 161 g/L · 161g/L
InChI: InChI=1/C12H22O11.H2O/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17;/h3-20H,1-2H2;1H2/t3-,4-,5+,6+,7-,8-,9-,10-,11,12+;/s3
InChIKey: WSVLPVUVIUVCRA-UBWUDVJHNA-N
SMILES: [C@@H]1([C@H](O)[C@H](C(O)O[C@@H]1CO)O)O[C@H]1[C@H](O)[C@H]([C@@H](O)[C@@H](CO)O1)O.O |&1:0,1,3,7,12,13,15,16,18,r|
CAS Datenbank: 10039 · 10039-26-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: D-Glucose, 4-O-.beta.-D-galactopyranosyl-, monohydrate

.alpha.-D-Glucopyranose, 4-O-.beta.-D-galactopyranosyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Lactose monohydrate: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - D-Glucose, 4-O-.beta.-D-galactopyranosyl-, monohydrate: Human health tier I assessment