disodium;bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium;hydride

C14H26N2Na2O9P+ — CID 175609455

IUPACdisodium;bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium;hydride
SMILESCCOC(=O)CC[C@H](N)C(=O)O[P+](=O)OC(=O)[C@@H](N)CCC(=O)OCC.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C14H24N2O9P.2Na.2H/c1-3-22-11(17)7-5-9(15)13(19)24-26(21)25-14(20)10(16)6-8-12(18)23-4-2;;;;/h9-10H,3-8,15-16H2,1-2H3;;;;/q3*+1;2*-1/t9-,10-;;;;/m0..../s1
InChIKeyYCZZAWHBVBXYDF-IJBXMQGASA-N
MW443.32 g/mol
LogP-5.70
Rot. Bonds12

About disodium;bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium;hydride

disodium;bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium;hydride (PubChem CID 175609455) has the molecular formula C14H26N2Na2O9P+ and a molecular weight of 443.32 g/mol. Its IUPAC name is disodium;bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium;hydride.

Molecular Properties

Compound Namedisodium;bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium;hydride
PubChem CID175609455
Molecular FormulaC14H26N2Na2O9P+
Molecular Weight443.32 g/mol
Exact Mass443.12
IUPAC Namedisodium;bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium;hydride
SMILESCCOC(=O)CC[C@H](N)C(=O)O[P+](=O)OC(=O)[C@@H](N)CCC(=O)OCC.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C14H24N2O9P.2Na.2H/c1-3-22-11(17)7-5-9(15)13(19)24-26(21)25-14(20)10(16)6-8-12(18)23-4-2;;;;/h9-10H,3-8,15-16H2,1-2H3;;;;/q3*+1;2*-1/t9-,10-;;;;/m0..../s1
InChIKeyYCZZAWHBVBXYDF-IJBXMQGASA-N
XLogP-5.70
TPSA174.31 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.32
LogP ≤ 5-5.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium
CID 175609456
acetylene;diethyl 2-aminopentanedioate;methane
CID 174943147
5-O-ethyl 1-O-propan-2-yl 2-aminopentanedioate
CID 89267661
(2S)-2-amino-5-ethoxy-5-oxopentanoate;hydrochloride
CID 91975022
diethyl (4R,5S)-4,5-diaminooctanedioate;dihydrochloride
CID 23545214
ethyl 4-amino-5-fluoropentanoate
CID 13477556
diethyl 4-iodoheptanedioate
CID 102577942
4-amino-7-ethoxy-7-oxoheptanoic acid
CID 87355046
ethyl 4-amino-5-fluoropentanoate;hydrochloride
CID 105452534
bis[[(2S)-2-amino-3-hydroxypropanoyl]oxy]-oxophosphanium
CID 174588325
sodium;diethyl decanedioate;hydride
CID 173076435
diethyl 4-acetylheptanedioate
CID 15669145

Frequently Asked Questions

What is the IUPAC name of disodium;bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium;hydride?
The IUPAC name of disodium;bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium;hydride (CID 175609455) is disodium;bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium;hydride.
What is the SMILES notation for disodium;bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium;hydride?
The canonical SMILES for disodium;bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium;hydride is CCOC(=O)CC[C@H](N)C(=O)O[P+](=O)OC(=O)[C@@H](N)CCC(=O)OCC.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium;hydride?
The InChIKey is YCZZAWHBVBXYDF-IJBXMQGASA-N. The full InChI is InChI=1S/C14H24N2O9P.2Na.2H/c1-3-22-11(17)7-5-9(15)13(19)24-26(21)25-14(20)10(16)6-8-12(18)23-4-2;;;;/h9-10H,3-8,15-16H2,1-2H3;;;;/q3*+1;2*-1/t9-,10-;;;;/m0..../s1.
What are the key properties of disodium;bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium;hydride?
disodium;bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium;hydride has a molecular weight of 443.32 g/mol, XLogP of -5.70, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium;hydride is sourced from PubChem (CID 175609455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).