2-[Bis(carboxymethyl)amino]-4-phosphonobutanoic acid - CAS 1536463-76-9
Catalog: |
BB043088 |
Product Name: |
2-[Bis(carboxymethyl)amino]-4-phosphonobutanoic acid |
CAS: |
1536463-76-9 |
Synonyms: |
2-N,N-bis(carboxymethyl)amino-4-phosphonobutanoic acid |
IUPAC Name: | 2-[bis(carboxymethyl)amino]-4-phosphonobutanoic acid |
Description: | 2-[Bis(carboxymethyl)amino]-4-phosphonobutanoic acid (CAS# 1536463-76-9 ) is a useful research chemical. |
Molecular Weight: | 299.17 |
Molecular Formula: | C8H14NO9P |
Canonical SMILES: | C(CP(=O)(O)O)C(C(=O)O)N(CC(=O)O)CC(=O)O |
InChI: | InChI=1S/C8H14NO9P/c10-6(11)3-9(4-7(12)13)5(8(14)15)1-2-19(16,17)18/h5H,1-4H2,(H,10,11)(H,12,13)(H,14,15)(H2,16,17,18) |
InChI Key: | BVIQLXOTVLSZPP-UHFFFAOYSA-N |
Complexity: | 387 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 299.04061802 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 10 |
Hydrogen Bond Donor Count: | 5 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 299.04061802 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 173 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -4.7 |
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