1-hydroxyethyl dihydrogen phosphate;urea

C4H15N4O7P — CID 21118622

IUPAC1-hydroxyethyl dihydrogen phosphate;urea
SMILESCC(O)OP(=O)(O)O.NC(N)=O.NC(N)=O
InChIInChI=1S/C2H7O5P.2CH4N2O/c1-2(3)7-8(4,5)6;2*2-1(3)4/h2-3H,1H3,(H2,4,5,6);2*(H4,2,3,4)
InChIKeySGJWSVAWTJOFMR-UHFFFAOYSA-N
MW262.16 g/mol
LogP-2.52
Rot. Bonds2

About 1-hydroxyethyl dihydrogen phosphate;urea

1-hydroxyethyl dihydrogen phosphate;urea (PubChem CID 21118622) has the molecular formula C4H15N4O7P and a molecular weight of 262.16 g/mol. Its IUPAC name is 1-hydroxyethyl dihydrogen phosphate;urea.

Molecular Properties

Compound Name1-hydroxyethyl dihydrogen phosphate;urea
PubChem CID21118622
Molecular FormulaC4H15N4O7P
Molecular Weight262.16 g/mol
Exact Mass262.07
IUPAC Name1-hydroxyethyl dihydrogen phosphate;urea
SMILESCC(O)OP(=O)(O)O.NC(N)=O.NC(N)=O
InChIInChI=1S/C2H7O5P.2CH4N2O/c1-2(3)7-8(4,5)6;2*2-1(3)4/h2-3H,1H3,(H2,4,5,6);2*(H4,2,3,4)
InChIKeySGJWSVAWTJOFMR-UHFFFAOYSA-N
XLogP-2.52
TPSA225.21 Ų
H-Bond Donors7
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.16
LogP ≤ 5-2.52
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxyethyl dihydrogen phosphate;urea?
The IUPAC name of 1-hydroxyethyl dihydrogen phosphate;urea (CID 21118622) is 1-hydroxyethyl dihydrogen phosphate;urea.
What is the SMILES notation for 1-hydroxyethyl dihydrogen phosphate;urea?
The canonical SMILES for 1-hydroxyethyl dihydrogen phosphate;urea is CC(O)OP(=O)(O)O.NC(N)=O.NC(N)=O.
What is the InChIKey of 1-hydroxyethyl dihydrogen phosphate;urea?
The InChIKey is SGJWSVAWTJOFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7O5P.2CH4N2O/c1-2(3)7-8(4,5)6;2*2-1(3)4/h2-3H,1H3,(H2,4,5,6);2*(H4,2,3,4).
What are the key properties of 1-hydroxyethyl dihydrogen phosphate;urea?
1-hydroxyethyl dihydrogen phosphate;urea has a molecular weight of 262.16 g/mol, XLogP of -2.52, 2 rotatable bonds, 7 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyethyl dihydrogen phosphate;urea is sourced from PubChem (CID 21118622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).