(2R,3R,4R,5R)-4-(((2R,3R,4R,5S,6R)-3,4-Dihydroxy-6-(hydroxymethyl)-5-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-2,3,5,6-tetrahydroxyhexanal

Details

• Internal ID: bd7f8d56-ef37-4adf-8b40-0fc88e699cec
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides
• IUPAC Name: (2R,3R,4R,5R)-4-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal
• SMILES (Canonical): C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC(C(CO)O)C(C(C=O)O)O)CO)O)O)O)O
• SMILES (Isomeric): C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)O)O)O
• InChI: InChI=1S/C18H32O16/c19-1-5(23)9(25)15(6(24)2-20)33-18-14(30)12(28)16(8(4-22)32-18)34-17-13(29)11(27)10(26)7(3-21)31-17/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10+,11-,12+,13+,14+,15+,16+,17+,18+/m0/s1
• InChI Key: RXVWSYJTUUKTEA-CGQAXDJHSA-N
• Popularity: 308 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₃₂O₁₆
• Molecular Weight: 504.40 g/mol
• Exact Mass: 504.16903493 g/mol
• Topological Polar Surface Area (TPSA): 277.00 Ų
• XlogP: -7.20

Synonyms

• 639K0T34IK
• (2R,3R,4R,5R)-4-(((2R,3R,4R,5S,6R)-3,4-Dihydroxy-6-(hydroxymethyl)-5-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-2,3,5,6-tetrahydroxyhexanal
• NSC-170180
• Maltotriose (open form)
• MALTOTRIOSE [USP-RS]
• UNII-639K0T34IK
• SCHEMBL14796719
• CHEBI:61993
• DTXCID00809616
• EINECS 214-174-2
• Tox21_113403
• MFCD00006629
• NSC 170180
• GLUCOSE IMPURITY C [EP IMPURITY]
• CAS-1109-28-0
• HY-113011
• CS-0059350
• alpha-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-D-Glc
• Q28091366
• .ALPHA.-D-GLUCOPYRANOSYL-(1->4)-.ALPHA.-D-GLUCOPYRANOSYL-(1->4)-D-GLUCOPYRANOSE
• D-Glucose, O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-
• O-alpha-D-Glucopyranosyl-(1.4)-O-alpha-D-glucopyranosyl-(1.4)-O-alpha-D-glucopyranose

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.42%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.18%	96.09%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	89.57%	97.29%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	88.45%	86.92%
CHEMBL3401	O75469	Pregnane X receptor	86.19%	94.73%
CHEMBL1907602	P06493	Cyclin-dependent kinase 1/cyclin B1	83.37%	91.24%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.07%	99.17%
CHEMBL2581	P07339	Cathepsin D	81.95%	98.95%
CHEMBL4040	P28482	MAP kinase ERK2	81.17%	83.82%
CHEMBL3589	P55263	Adenosine kinase	80.86%	98.05%

Plants that contains it

• Populus tremula

Cross-Links

• PubChem: 92146
• LOTUS: LTS0111684
• wikiData: Q28091366