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Boc2-Aoa monohydrate

CAT: 0127-BIBP1020-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-BIBP1020-01Size:1 g
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CAS Number
1987175-47-2
Synonyms
Bis-Boc-aminooxyacetic acid ; Bis-Boc-Aoa ; N, N- (Boc) 2-Aoa ; {[bis (tert-butoxycarbonyl) amino]oxy}acetic acid
MDL Number
MFCD18426570
Purity
>98%
Smiles
O.CC(C)(C)OC(=O)N(OCC(=O)O)C(=O)OC(C)(C)C
Additionnal Information
Store at 2-8°C
Storage Conditions
Store at 2-8°C

Chemical Information

Bis-boc-amino-oxyacetic acid monohydrate
CAS Number1987175-47-2
PubChem CID71434151
IUPAC Name2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]oxyacetic acid;hydrate
Molecular FormulaC12H23NO8
Molecular Weight309.31
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count21
Formal Charge0
Complexity350
SMILES
CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)OCC(=O)O.O
InChI
InChI=1S/C12H21NO7.H2O/c1-11(2,3)19-9(16)13(18-7-8(14)15)10(17)20-12(4,5)6;/h7H2,1-6H3,(H,14,15);1H2
InChIKey
XNBLGIQAWTZCSQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bis-boc-amino-oxyacetic acid monohydrate
CAS: 1987175-47-2
CID: 71434151
Formula: C12H23NO8
MW: 309.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight309.31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass309.14236669
Monoisotopic Mass309.14236669
Topological Polar Surface Area103 Ų
Heavy Atom Count21
Formal Charge0
Complexity350
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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