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D-O-Phospho Threonine

CAT: 0572-TRC-P364500-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P364500-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
96193-69-0
Hazard Statement
No Data Available
Smiles
C[C@H](OP(=O)(O)O)[C@@H](N)C(=O)O
Molecular Formula
C4 H10 N O6 P
Molecular Weight
199.099
InChI
InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m0/s1
Additionnal Information
IUPAC name: (2R,3S)-2-amino-3-phosphonooxybutanoic acid
Shipping Conditions
Room Temperature

Chemical Information

Phosphonothreonine
CAS Number96193-69-0
PubChem CID10976469
IUPAC Name(2R,3S)-2-amino-3-phosphonooxybutanoic acid
Molecular FormulaC4H10NO6P
Molecular Weight199.10
XLogP-4.7
Topological Polar Surface Area130
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity212
SMILES
C[C@@H]([C@H](C(=O)O)N)OP(=O)(O)O
InChI
InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m0/s1
InChIKey
USRGIUJOYOXOQJ-STHAYSLISA-N
Chemical Structure
2D Structure
2D structure of Phosphonothreonine
CAS: 96193-69-0
CID: 10976469
Formula: C4H10NO6P
MW: 199.10
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight199.10
XLogP3-4.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass199.02457404
Monoisotopic Mass199.02457404
Topological Polar Surface Area130 Ų
Heavy Atom Count12
Formal Charge0
Complexity212
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