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Propyl β-D-lactoside

CAT: 0862-GC0501-500mgSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0862-GC0501-500mgSize:500 mg
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CAS Number
115075-17-7
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Chemical Information

Propyl beta-D-lactoside
CAS Number115075-17-7
PubChem CID11153318
IUPAC Name(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-propoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC15H28O11
Molecular Weight384.38
XLogP-3.3
Topological Polar Surface Area179
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity424
SMILES
CCCO[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/C15H28O11/c1-2-3-23-14-12(22)10(20)13(7(5-17)25-14)26-15-11(21)9(19)8(18)6(4-16)24-15/h6-22H,2-5H2,1H3/t6-,7-,8+,9+,10-,11-,12-,13-,14-,15+/m1/s1
InChIKey
HZJDMJJGLSPWNV-YZIZBFEWSA-N
Chemical Structure
2D Structure
2D structure of Propyl beta-D-lactoside
CAS: 115075-17-7
CID: 11153318
Formula: C15H28O11
MW: 384.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.38
XLogP3-3.3
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass384.16316171
Monoisotopic Mass384.16316171
Topological Polar Surface Area179 Ų
Heavy Atom Count26
Formal Charge0
Complexity424
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
BICL2504-01Propyl ß-D-lactoside
OP04979-01N-Propyl β-lactoside
297648-01N-Propyl b-lactoside
020111Propyl β-D-Glucuronide
TRC-P835275-10MGPropyl Beta-D-Glucuronide
MP10158-01Propyl b-D-glucuronide
020103Propyl N-Acetyl-β-D-glucosamine
0903-2Propyl-β-D-glucuronide, 2 mg
0903-10Propyl-β-D-glucuronide, 10 mg
0904-22-Propyl-β-D-glucuronide, 2 mg

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