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D-NMAPPD

CAT: 0607-C4799-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-C4799-10Size:10 mg
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Description
ceramidase inhibitor that induces apoptosis
CAS Number
35922-06-6
Product Name Alternative
N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-tetradecanamide
Sequence
(1R,2R)-B13,CAY10466
Field of Research
Others Ceramidases
Purity
0.98
Form
A crystalline solid
Solubility
≤20mg/ml in ethanol;10mg/ml in DMSO;10mg/ml in dimethyl formamide
Smiles
OC[C@@H](N([H])C(CCCCCCCCCCCCC)=O)[C@H](O)C1=CC=C([N+]([O-])=O)C=C1
Molecular Formula
C23H38N2O5
Molecular Weight
422.6
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

D-Nmappd
CAS Number35922-06-6
PubChem CID10070893
IUPAC NameN-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]tetradecanamide
Molecular FormulaC23H38N2O5
Molecular Weight422.6
XLogP6.3
Topological Polar Surface Area115
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count16
Heavy Atom Count30
Formal Charge0
Complexity461
SMILES
CCCCCCCCCCCCCC(=O)N[C@H](CO)[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])O
InChI
InChI=1S/C23H38N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(27)24-21(18-26)23(28)19-14-16-20(17-15-19)25(29)30/h14-17,21,23,26,28H,2-13,18H2,1H3,(H,24,27)/t21-,23-/m1/s1
InChIKey
XUSDVLHKNBOGJY-FYYLOGMGSA-N
Chemical Structure
2D Structure
2D structure of D-Nmappd
CAS: 35922-06-6
CID: 10070893
Formula: C23H38N2O5
MW: 422.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.6
XLogP36.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count16
Exact Mass422.27807232
Monoisotopic Mass422.27807232
Topological Polar Surface Area115 Ų
Heavy Atom Count30
Formal Charge0
Complexity461
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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