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H-Asp-Asp-Asp-OH

CAT: 0121-4018907.0050Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0121-4018907.0050Size:50 mg
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CAS Number
107208-63-9
Specifications
H-8750.0050
Sequence
H-Asp-Asp-Asp-OH
Molecular Formula
C₁₂H₁₇N₃O₁₀
Molecular Weight
363.28
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

H-Asp-Asp-Asp-OH

Asp-Asp-Asp is a tripeptide.

CAS Number107208-63-9
PubChem CID44271674
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]butanedioic acid
Molecular FormulaC12H17N3O10
Molecular Weight363.28
XLogP-6.1
Topological Polar Surface Area233
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count25
Formal Charge0
Complexity575
SMILES
C([C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)N)C(=O)O
InChI
InChI=1S/C12H17N3O10/c13-4(1-7(16)17)10(22)14-5(2-8(18)19)11(23)15-6(12(24)25)3-9(20)21/h4-6H,1-3,13H2,(H,14,22)(H,15,23)(H,16,17)(H,18,19)(H,20,21)(H,24,25)/t4-,5-,6-/m0/s1
InChIKey
VPSHHQXIWLGVDD-ZLUOBGJFSA-N
Chemical Structure
2D Structure
2D structure of H-Asp-Asp-Asp-OH
CAS: 107208-63-9
CID: 44271674
Formula: C12H17N3O10
MW: 363.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight363.28
XLogP3-6.1
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass363.09139375
Monoisotopic Mass363.09139375
Topological Polar Surface Area233 Ų
Heavy Atom Count25
Formal Charge0
Complexity575
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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