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Dp-Ii

CAT: 1299-RG-A262327-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A262327-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2007145-90-4
Synonyms
(((L-alanyl) oxy) ((((R) -1- (6-amino-9H-purin-9-yl) propan-2-yl) oxy) methyl) phosphoryl) -L-alanine
Molecular Formula
C15H24N7O6P
Molecular Weight
429.37
Product Name Synonym
(((L-alanyl) oxy) ((((R) -1- (6-amino-9H-purin-9-yl) propan-2-yl) oxy) methyl) phosphoryl) -L-alanine

Chemical Information

(2S)-2-[[[(2S)-2-aminopropanoyl]oxy-[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl]phosphoryl]amino]propanoic acid
CAS Number2007145-90-4
PubChem CID163197561
IUPAC Name(2S)-2-[[[(2S)-2-aminopropanoyl]oxy-[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl]phosphoryl]amino]propanoic acid
Molecular FormulaC15H24N7O6P
Molecular Weight429.37
XLogP-3.8
Topological Polar Surface Area198
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count11
Heavy Atom Count29
Formal Charge0
Complexity640
SMILES
C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(N[C@@H](C)C(=O)O)OC(=O)[C@H](C)N
InChI
InChI=1S/C15H24N7O6P/c1-8(4-22-6-20-11-12(17)18-5-19-13(11)22)27-7-29(26,21-10(3)14(23)24)28-15(25)9(2)16/h5-6,8-10H,4,7,16H2,1-3H3,(H,21,26)(H,23,24)(H2,17,18,19)/t8-,9+,10+,29?/m1/s1
InChIKey
RYKHCTYJTICENV-WXFFADBYSA-N
Chemical Structure
2D Structure
2D structure of (2S)-2-[[[(2S)-2-aminopropanoyl]oxy-[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl]phosphoryl]amino]propanoic acid
CAS: 2007145-90-4
CID: 163197561
Formula: C15H24N7O6P
MW: 429.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.37
XLogP3-3.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count11
Exact Mass429.15256851
Monoisotopic Mass429.15256851
Topological Polar Surface Area198 Ų
Heavy Atom Count29
Formal Charge0
Complexity640
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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