Details of the Drug

General Information of Drug (ID: DMMDG92)

Drug Name

Dodecyl-Alpha-D-Maltoside

Synonyms

DODECYL-ALPHA-D-MALTOSIDE; 116183-64-3; N-Dodecylmaltoside; Dodecyl a-D-maltopyranoside; n-Dodecyl alpha-D-maltoside; LMU; (2R,3R,4S,5S,6R)-2-(((2R,3S,4R,5R,6S)-6-(Dodecyloxy)-4,5-dihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol; AC1L9I0U; Dodecyl alpha-D-maltopyranoside; SCHEMBL17817178; Dodecyl-I+/--D-maltopyranoside; ZINC14253923; GC5636; AKOS030567697; DB03279; W0537; K-1145; 183D643; W-200893; dodecyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 4

Molecular Weight (mw)

510.6

Logarithm of the Partition Coefficient (xlogp)

1.4

Rotatable Bond Count (rotbonds)

16

Hydrogen Bond Donor Count (hbonddonor)

7

Hydrogen Bond Acceptor Count (hbondacc)

11

Chemical Identifiers

Formula: C24H46O11
IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-dodecoxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Canonical SMILES: CCCCCCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
InChI: InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-21(31)19(29)22(16(14-26)34-23)35-24-20(30)18(28)17(27)15(13-25)33-24/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23+,24-/m1/s1
InChIKey: NLEBIOOXCVAHBD-YHBSTRCHSA-N