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AD 2900

CAT: 0013-GTR19231833Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19231833Size:100 mg
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Description
AD 2900 (AD2900, AD-2900) is a novel potent, broad S1P receptor antagonist with IC50 of 3.8, 3.2, 6.2, 5.9 and 0.405 uM for S1P1, 2, 3, 4 and 5 respectively.
CAS Number
18360-29-7
Purity
>98%
Smiles
O ([H]) C ([H]) ([H]) C (C ([H]) ([H]) O[H]) (C ([H]) ([H]) O[H]) N ([H]) C ([H]) ([H]) C ([H]) ([H]) C ([H]) ([H]) C ([H]) ([H]) C ([H]) ([H]) C ([H]) ([H]) C ([H]) ([H]) C ([H]) ([H]) C ([H]) ([H]) C ([H]) ([H]) C ([H]) ([H]) C ([H]) ([H]) C ([H]) ([H]) C ([H]) ([H]) C ([H]) ([H]) C ([H]) ([H]) [H]
Molecular Formula
C20H43NO3
Molecular Weight
345.5603
Notes
For research use only.

Chemical Information

2-(Hexadecylamino)-2-(hydroxymethyl)propane-1,3-diol
CAS Number18360-29-7
PubChem CID4026890
IUPAC Name2-(hexadecylamino)-2-(hydroxymethyl)propane-1,3-diol
Molecular FormulaC20H43NO3
Molecular Weight345.6
XLogP5.4
Topological Polar Surface Area72.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count19
Heavy Atom Count24
Formal Charge0
Complexity237
SMILES
CCCCCCCCCCCCCCCCNC(CO)(CO)CO
InChI
InChI=1S/C20H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-20(17-22,18-23)19-24/h21-24H,2-19H2,1H3
InChIKey
ZXXNITCZQHAWAE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Hexadecylamino)-2-(hydroxymethyl)propane-1,3-diol
CAS: 18360-29-7
CID: 4026890
Formula: C20H43NO3
MW: 345.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight345.6
XLogP35.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count19
Exact Mass345.32429423
Monoisotopic Mass345.32429423
Topological Polar Surface Area72.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity237
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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