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(±)-Boc-a-phosphonoglycine Trimethyl Ester

CAT: 0572-TRC-B661850-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B661850-10GSize:10 g
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CAS Number
89524-98-1
Synonyms
(Dimethoxyphosphinyl)[[(1,1-dimethylethoxy)carbonyl]amino]acetic Acid Methyl Ester; 2-(Dimethoxyphosphinyl)-2-[[(1,1-dimethylethoxy)carbonyl]amino]acetic Acid Methyl Ester; Methyl 2-[(tert-butoxycarbonyl)amino]-2-(dimethoxyphosphoryl)acetate;
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
COC(=O)C(NC(=O)OC(C)(C)C)P(=O)(OC)OC
Molecular Formula
C10H20NO7P
Molecular Weight
297.24
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Methyl ((tert-butoxy(hydroxy)methylidene)amino)(dimethoxyphosphoryl)acetate
CAS Number89524-98-1
PubChem CID397380
IUPAC Namemethyl 2-dimethoxyphosphoryl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
Molecular FormulaC10H20NO7P
Molecular Weight297.24
XLogP0.2
Topological Polar Surface Area100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count19
Formal Charge0
Complexity369
SMILES
CC(C)(C)OC(=O)NC(C(=O)OC)P(=O)(OC)OC
InChI
InChI=1S/C10H20NO7P/c1-10(2,3)18-9(13)11-7(8(12)15-4)19(14,16-5)17-6/h7H,1-6H3,(H,11,13)
InChIKey
LJHAPRKTPAREGO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl ((tert-butoxy(hydroxy)methylidene)amino)(dimethoxyphosphoryl)acetate
CAS: 89524-98-1
CID: 397380
Formula: C10H20NO7P
MW: 297.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight297.24
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass297.09773897
Monoisotopic Mass297.09773897
Topological Polar Surface Area100 Ų
Heavy Atom Count19
Formal Charge0
Complexity369
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes