2-[4-azido-5-(2-hydroxyethoxy)-2,2-dimethyl-5-oxopentanoyl]oxyethoxy-hydroxy-oxophosphanium

C11H19N3O8P+ — CID 90349128

IUPAC2-[4-azido-5-(2-hydroxyethoxy)-2,2-dimethyl-5-oxopentanoyl]oxyethoxy-hydroxy-oxophosphanium
SMILESCC(C)(CC(N=[N+]=[N-])C(=O)OCCO)C(=O)OCCO[P+](=O)O
InChIInChI=1S/C11H18N3O8P/c1-11(2,10(17)21-5-6-22-23(18)19)7-8(13-14-12)9(16)20-4-3-15/h8,15H,3-7H2,1-2H3/p+1
InChIKeyUJCZGROHHUUBLY-UHFFFAOYSA-O
MW352.26 g/mol
LogP0.83
Rot. Bonds11

About 2-[4-azido-5-(2-hydroxyethoxy)-2,2-dimethyl-5-oxopentanoyl]oxyethoxy-hydroxy-oxophosphanium

2-[4-azido-5-(2-hydroxyethoxy)-2,2-dimethyl-5-oxopentanoyl]oxyethoxy-hydroxy-oxophosphanium (PubChem CID 90349128) has the molecular formula C11H19N3O8P+ and a molecular weight of 352.26 g/mol. Its IUPAC name is 2-[4-azido-5-(2-hydroxyethoxy)-2,2-dimethyl-5-oxopentanoyl]oxyethoxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name2-[4-azido-5-(2-hydroxyethoxy)-2,2-dimethyl-5-oxopentanoyl]oxyethoxy-hydroxy-oxophosphanium
PubChem CID90349128
Molecular FormulaC11H19N3O8P+
Molecular Weight352.26 g/mol
Exact Mass352.09
IUPAC Name2-[4-azido-5-(2-hydroxyethoxy)-2,2-dimethyl-5-oxopentanoyl]oxyethoxy-hydroxy-oxophosphanium
SMILESCC(C)(CC(N=[N+]=[N-])C(=O)OCCO)C(=O)OCCO[P+](=O)O
InChIInChI=1S/C11H18N3O8P/c1-11(2,10(17)21-5-6-22-23(18)19)7-8(13-14-12)9(16)20-4-3-15/h8,15H,3-7H2,1-2H3/p+1
InChIKeyUJCZGROHHUUBLY-UHFFFAOYSA-O
XLogP0.83
TPSA168.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-azido-5-(2-hydroxyethoxy)-2,2-dimethyl-5-oxopentanoyl]oxyethoxy-hydroxy-oxophosphanium?
The IUPAC name of 2-[4-azido-5-(2-hydroxyethoxy)-2,2-dimethyl-5-oxopentanoyl]oxyethoxy-hydroxy-oxophosphanium (CID 90349128) is 2-[4-azido-5-(2-hydroxyethoxy)-2,2-dimethyl-5-oxopentanoyl]oxyethoxy-hydroxy-oxophosphanium.
What is the SMILES notation for 2-[4-azido-5-(2-hydroxyethoxy)-2,2-dimethyl-5-oxopentanoyl]oxyethoxy-hydroxy-oxophosphanium?
The canonical SMILES for 2-[4-azido-5-(2-hydroxyethoxy)-2,2-dimethyl-5-oxopentanoyl]oxyethoxy-hydroxy-oxophosphanium is CC(C)(CC(N=[N+]=[N-])C(=O)OCCO)C(=O)OCCO[P+](=O)O.
What is the InChIKey of 2-[4-azido-5-(2-hydroxyethoxy)-2,2-dimethyl-5-oxopentanoyl]oxyethoxy-hydroxy-oxophosphanium?
The InChIKey is UJCZGROHHUUBLY-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H18N3O8P/c1-11(2,10(17)21-5-6-22-23(18)19)7-8(13-14-12)9(16)20-4-3-15/h8,15H,3-7H2,1-2H3/p+1.
What are the key properties of 2-[4-azido-5-(2-hydroxyethoxy)-2,2-dimethyl-5-oxopentanoyl]oxyethoxy-hydroxy-oxophosphanium?
2-[4-azido-5-(2-hydroxyethoxy)-2,2-dimethyl-5-oxopentanoyl]oxyethoxy-hydroxy-oxophosphanium has a molecular weight of 352.26 g/mol, XLogP of 0.83, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-azido-5-(2-hydroxyethoxy)-2,2-dimethyl-5-oxopentanoyl]oxyethoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 90349128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).