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D-threo-PDMP

CAT: 0024-sc-280659Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-280659Size:10 mg
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CAS Number
109836-82-0

Chemical Information

d-threo-PDMP
CAS Number109836-82-0
PubChem CID16219895
IUPAC NameN-[(1R,2R)-1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl]decanamide;hydrochloride
Molecular FormulaC23H39ClN2O3
Molecular Weight427.0
Topological Polar Surface Area61.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Heavy Atom Count29
Formal Charge0
Complexity407
SMILES
CCCCCCCCCC(=O)N[C@H](CN1CCOCC1)[C@@H](C2=CC=CC=C2)O.Cl
InChI
InChI=1S/C23H38N2O3.ClH/c1-2-3-4-5-6-7-11-14-22(26)24-21(19-25-15-17-28-18-16-25)23(27)20-12-9-8-10-13-20;/h8-10,12-13,21,23,27H,2-7,11,14-19H2,1H3,(H,24,26);1H/t21-,23-;/m1./s1
InChIKey
HVJHJOYQTSEKPK-BLDCTAJRSA-N
Chemical Structure
2D Structure
2D structure of d-threo-PDMP
CAS: 109836-82-0
CID: 16219895
Formula: C23H39ClN2O3
MW: 427.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight427.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Exact Mass426.2649208
Monoisotopic Mass426.2649208
Topological Polar Surface Area61.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity407
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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