beta-Lactose

HCID 6134

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Basic information

CAS: 5965-66-2
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-DCSYEGIMSA-N
Molecular formula: C12H22O11
Average molar mass: 342.3 g/mol
Monoisotopic mass: 342.11621151

Names & identifiers

Preferred name: beta-Lactose
IUPAC: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
English name: beta-D-Lactose
Molecular formula: C12H22O11
Molecular weight: 342.3

Names & synonyms

beta-D-Lactosebeta-Lactose5965-66-2lactoseD-Lactose4-O-beta-D-Galactopyranosyl-beta-D-glucopyranose.beta.-LactoseMilk sugarbeta-D-Glucopyranose, 4-O-beta-D-galactopyranosyl-CHEBI:3621813Q3A43E0S(+)-Lactose

Show more names

Lactopressβ-Lactose.beta.-D-Glucopyranose, 4-O-.beta.-D-galactopyranosyl-(2R,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-triolβ-D-Glucopyranose, 4-O-β-D-galactopyranosyl-4-O-B2B-LACTINB-LACTOSEGAL1-B-4GLC

beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoseDTXSID50587234-(beta-D-Galactosido)-D-glucoseRefChem:5602GlyTouCan:G84224TWDTXCID50196482G84224TWD-Glucose, 4-O-beta-D-galactopyranosyl

Database identifiers

CAS: 5965-66-2、63-42-3
PubChem CID: 6134
ChEBI: CHEBI:36218
UNII: 13Q3A43E0S
EC Number: 227-751-9
Nikkaji: J223.917E

Properties

Computed structural properties

XLogP: -4.7
Topological polar surface area: 190 Å²
Hydrogen bond donors: 8
Hydrogen bond acceptors: 11
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 382

Physicochemical properties

Melting point: 224 °C · 224 °C
Boiling point: 397.76 °C · 397.76°C (rough estimate)
Density: 1.59 · 1.5900
refractive index: 1.5376 · 1.5376 (estimate)
RTECS: 5776360 · LZ5776360
storage temp.: Room Temp
solubility: Water (Slightly)
form: Solid
pka: 12.02 · 12.02±0.70(Predicted)
color: White to Off-White
biological source: bovine milk
Water Solubility: Soluble in water.
Merck: 14 · 14,5343
InChI: 1S/C12H22O11/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/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1
InChIKey: GUBGYTABKSRVRQ-DCSYEGIMSA-N
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
CAS DataBase Reference: 5965 · 5965-66-2(CAS DataBase Reference)
FDA UNII: 13 Q3A43E0S · 13Q3A43E0S
EPA Substance Registry System: 4 · .beta.-D-Glucopyranose, 4-O-.beta.-D-galactopyranosyl- (5965-66-2)
UNSPSC Code: 12352201 · 12352201
NACRES: 25 · NA.25
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 17021100 · 17021100
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
tsca: TSCA listed
hs_code: 17021100
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Applications

Usesβ-D-Lactose is used in the pharmaceutical industry to make tablets. It acts as a nutrient and as a filler used in pills. It is utilized in the dilution of heroin. Further, it is used to sweeten stout beer.