(1-amino-2-iodoethyl) dihydrogen phosphate

C2H7INO4P — CID 134603273

IUPAC(1-amino-2-iodoethyl) dihydrogen phosphate
SMILESNC(CI)OP(=O)(O)O
InChIInChI=1S/C2H7INO4P/c3-1-2(4)8-9(5,6)7/h2H,1,4H2,(H2,5,6,7)
InChIKeyLXUUBIWCFAXXEY-UHFFFAOYSA-N
MW266.96 g/mol
LogP-0.18
Rot. Bonds3

About (1-amino-2-iodoethyl) dihydrogen phosphate

(1-amino-2-iodoethyl) dihydrogen phosphate (PubChem CID 134603273) has the molecular formula C2H7INO4P and a molecular weight of 266.96 g/mol. Its IUPAC name is (1-amino-2-iodoethyl) dihydrogen phosphate.

Molecular Properties

Compound Name(1-amino-2-iodoethyl) dihydrogen phosphate
PubChem CID134603273
Molecular FormulaC2H7INO4P
Molecular Weight266.96 g/mol
Exact Mass266.92
IUPAC Name(1-amino-2-iodoethyl) dihydrogen phosphate
SMILESNC(CI)OP(=O)(O)O
InChIInChI=1S/C2H7INO4P/c3-1-2(4)8-9(5,6)7/h2H,1,4H2,(H2,5,6,7)
InChIKeyLXUUBIWCFAXXEY-UHFFFAOYSA-N
XLogP-0.18
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.96
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-amino-2-iodoethyl) dihydrogen phosphate?
The IUPAC name of (1-amino-2-iodoethyl) dihydrogen phosphate (CID 134603273) is (1-amino-2-iodoethyl) dihydrogen phosphate.
What is the SMILES notation for (1-amino-2-iodoethyl) dihydrogen phosphate?
The canonical SMILES for (1-amino-2-iodoethyl) dihydrogen phosphate is NC(CI)OP(=O)(O)O.
What is the InChIKey of (1-amino-2-iodoethyl) dihydrogen phosphate?
The InChIKey is LXUUBIWCFAXXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7INO4P/c3-1-2(4)8-9(5,6)7/h2H,1,4H2,(H2,5,6,7).
What are the key properties of (1-amino-2-iodoethyl) dihydrogen phosphate?
(1-amino-2-iodoethyl) dihydrogen phosphate has a molecular weight of 266.96 g/mol, XLogP of -0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-iodoethyl) dihydrogen phosphate is sourced from PubChem (CID 134603273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).