Basic information
- CAS
20869-27-6- Standard SMILES
O=C[C@@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO- InChIKey
DKXNBNKWCZZMJT-QMRWEYQWSA-N- Molecular formula
- C12H22O11
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 342.11621152
Overview
See also: Eplattosio (annotation moved to).
Names & identifiers
- Preferred name
- Epilactose
- IUPAC
- (2S,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
- English name
- 4-O-beta-Galactopyranosyl-D-mannopyranose
- Molecular formula
- C12H22O11
- Molecular weight
- 342.3
Names & synonyms
EpilactoseGalbeta-1-4-man4-O-beta-D-Galactopyranosyl-D-mannoseEpilactose [II]Epilactose [USP-RS]3515BNP809EPILACTOSE (II)EPILACTOSE (USP-RS)RefChem:13722420869-27-6beta-D-galactosyl-(1->4)-D-mannose50468-56-9
Show more names
Epilactose (200 mg)Epilactose (1236801)Lactulose impurity ALactose Impurity 6 (epi-Lactose)Lactulose impurity 2（Epiregulin）Lactulose - Impurity A/Epilactose4-O-β-D-Galactopyranosyl-D-mannoseD-Mannose, 4-O-β-D-galactopyranosyl-D-Mannose, 4-O-b-D-galactopyranosyl-
(2S,3R,4R,5R)-2,3,5,6-Tetrahydroxy-4-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexanal(2S,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanalLactulose impurity A [EP]orb2653165orb2943101SCHEMBL4731603UNII-3515BNP809DKXNBNKWCZZMJT-QMRWEYQWSA-N
Database identifiers
Properties
Computed structural properties
- XLogP
- -5
- Topological polar surface area
- 197 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Boiling point
- 774.5 · 774.5±60.0 °C(Predicted)
- Density
- 1.68 · 1.68±0.1 g/cm3(Predicted)
- pka
- 12.39 · 12.39±0.20(Predicted)
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h1,4-12,14-21H,2-3H2/t4-,5-,6-,7-,8+,9+,10-,11-,12+/m1/s1
- InChIKey
- DKXNBNKWCZZMJT-QMRWEYQWSA-N
- SMILES
- O1[C@H]([C@@H]([C@H]([C@H]([C@H]1CO)O)O)O)O[C@@H]([C@H](O)[C@H](O)C=O)[C@H](O)CO
- FDA UNII
- 3515 BNP809 · 3515BNP809
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- WGK Germany
- 3 · 3
- HS Code
- 2940006000 · 2940006000
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 2940006000
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Usesepi-Lactose is an epimer of Lactose (L114000) and is also known to exhibit prebiotic properties.
Suppliers77 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海惠诚生物科技有限公司60498804 18930850192 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Related reactions
2 records
Compound notes
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