disodium;hydride;phosphono (2S)-2-amino-3-(4-hydroxyphenyl)propanoate

C9H14NNa2O6P — CID 175150888

IUPACdisodium;hydride;phosphono (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)OP(=O)(O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C9H12NO6P.2Na.2H/c10-8(9(12)16-17(13,14)15)5-6-1-3-7(11)4-2-6;;;;/h1-4,8,11H,5,10H2,(H2,13,14,15);;;;/q;2*+1;2*-1/t8-;;;;/m0..../s1
InChIKeyACXGBXAOJGKRMJ-USHJOAKVSA-N
MW309.17 g/mol
LogP-5.87
Rot. Bonds4

About disodium;hydride;phosphono (2S)-2-amino-3-(4-hydroxyphenyl)propanoate

disodium;hydride;phosphono (2S)-2-amino-3-(4-hydroxyphenyl)propanoate (PubChem CID 175150888) has the molecular formula C9H14NNa2O6P and a molecular weight of 309.17 g/mol. Its IUPAC name is disodium;hydride;phosphono (2S)-2-amino-3-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namedisodium;hydride;phosphono (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
PubChem CID175150888
Molecular FormulaC9H14NNa2O6P
Molecular Weight309.17 g/mol
Exact Mass309.04
IUPAC Namedisodium;hydride;phosphono (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)OP(=O)(O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C9H12NO6P.2Na.2H/c10-8(9(12)16-17(13,14)15)5-6-1-3-7(11)4-2-6;;;;/h1-4,8,11H,5,10H2,(H2,13,14,15);;;;/q;2*+1;2*-1/t8-;;;;/m0..../s1
InChIKeyACXGBXAOJGKRMJ-USHJOAKVSA-N
XLogP-5.87
TPSA130.08 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 5-5.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bromo (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 56980612
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
carbamoyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 54129194
acetyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 22287971
disodium;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 170924153
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
(2R)-2-amino-3-(4-hydroxyphenyl)propanamide
CID 10511575
(2R)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one
CID 139478348
azane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride
CID 174185401
2-fluoroethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 87854570

Frequently Asked Questions

What is the IUPAC name of disodium;hydride;phosphono (2S)-2-amino-3-(4-hydroxyphenyl)propanoate?
The IUPAC name of disodium;hydride;phosphono (2S)-2-amino-3-(4-hydroxyphenyl)propanoate (CID 175150888) is disodium;hydride;phosphono (2S)-2-amino-3-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for disodium;hydride;phosphono (2S)-2-amino-3-(4-hydroxyphenyl)propanoate?
The canonical SMILES for disodium;hydride;phosphono (2S)-2-amino-3-(4-hydroxyphenyl)propanoate is N[C@@H](Cc1ccc(O)cc1)C(=O)OP(=O)(O)O.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;hydride;phosphono (2S)-2-amino-3-(4-hydroxyphenyl)propanoate?
The InChIKey is ACXGBXAOJGKRMJ-USHJOAKVSA-N. The full InChI is InChI=1S/C9H12NO6P.2Na.2H/c10-8(9(12)16-17(13,14)15)5-6-1-3-7(11)4-2-6;;;;/h1-4,8,11H,5,10H2,(H2,13,14,15);;;;/q;2*+1;2*-1/t8-;;;;/m0..../s1.
What are the key properties of disodium;hydride;phosphono (2S)-2-amino-3-(4-hydroxyphenyl)propanoate?
disodium;hydride;phosphono (2S)-2-amino-3-(4-hydroxyphenyl)propanoate has a molecular weight of 309.17 g/mol, XLogP of -5.87, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydride;phosphono (2S)-2-amino-3-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 175150888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).