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1-Adamantylaspartate

CAT: 0931-T29295-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T29295-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
115545-59-0
Target
Others
Related Pathways
Others
Bioactivity
1-Adamantylaspartate can be used as a protecting group for protein synthesis.
Smiles
O(C(C[C@@H](C(O)=O)N)=O)C12CC3CC(C1)CC(C2)C3
Molecular Formula
C14H21NO4
Molecular Weight
267.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-Adamantylaspartate

useful as a protecting group for protein synthesis; structure given in first source

CAS Number115545-59-0
PubChem CID64585
IUPAC Name(2S)-4-(1-adamantyloxy)-2-amino-4-oxobutanoic acid
Molecular FormulaC14H21NO4
Molecular Weight267.32
XLogP-0.9
Topological Polar Surface Area89.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count19
Formal Charge0
Complexity365
SMILES
C1C2CC3CC1CC(C2)(C3)OC(=O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C14H21NO4/c15-11(13(17)18)4-12(16)19-14-5-8-1-9(6-14)3-10(2-8)7-14/h8-11H,1-7,15H2,(H,17,18)/t8?,9?,10?,11-,14?/m0/s1
InChIKey
JWPBQLVAJXYMGD-RLFZITJJSA-N
Chemical Structure
2D Structure
2D structure of 1-Adamantylaspartate
CAS: 115545-59-0
CID: 64585
Formula: C14H21NO4
MW: 267.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight267.32
XLogP3-0.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass267.14705815
Monoisotopic Mass267.14705815
Topological Polar Surface Area89.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity365
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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