propyl dihydrogen phosphate;urea

C5H17N4O6P — CID 88818408

IUPACpropyl dihydrogen phosphate;urea
SMILESCCCOP(=O)(O)O.NC(N)=O.NC(N)=O
InChIInChI=1S/C3H9O4P.2CH4N2O/c1-2-3-7-8(4,5)6;2*2-1(3)4/h2-3H2,1H3,(H2,4,5,6);2*(H4,2,3,4)
InChIKeyMPTYSZJHCAWIIS-UHFFFAOYSA-N
MW260.19 g/mol
LogP-1.45
Rot. Bonds3

About propyl dihydrogen phosphate;urea

propyl dihydrogen phosphate;urea (PubChem CID 88818408) has the molecular formula C5H17N4O6P and a molecular weight of 260.19 g/mol. Its IUPAC name is propyl dihydrogen phosphate;urea.

Molecular Properties

Compound Namepropyl dihydrogen phosphate;urea
PubChem CID88818408
Molecular FormulaC5H17N4O6P
Molecular Weight260.19 g/mol
Exact Mass260.09
IUPAC Namepropyl dihydrogen phosphate;urea
SMILESCCCOP(=O)(O)O.NC(N)=O.NC(N)=O
InChIInChI=1S/C3H9O4P.2CH4N2O/c1-2-3-7-8(4,5)6;2*2-1(3)4/h2-3H2,1H3,(H2,4,5,6);2*(H4,2,3,4)
InChIKeyMPTYSZJHCAWIIS-UHFFFAOYSA-N
XLogP-1.45
TPSA204.98 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.19
LogP ≤ 5-1.45
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 91053846
CID 91053846
azane;butyl dihydrogen phosphate
CID 173333807
3-propoxypropyl dihydrogen phosphate
CID 87328262
octatriacontyl dihydrogen phosphate
CID 140979287
heptyl dihydrogen phosphate;octyl dihydrogen phosphate
CID 160757103
pentatriacontyl dihydrogen phosphate
CID 164897229
azane;butyl dihydrogen phosphate;hydrochloride
CID 146307960
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233
methyl prop-2-enoate;propyl dihydrogen phosphate
CID 174452884
CID 87495286
CID 87495286
alumane;ethyl dihydrogen phosphate
CID 173113989
azane;bis(ethyl dihydrogen phosphate)
CID 174611775

Frequently Asked Questions

What is the IUPAC name of propyl dihydrogen phosphate;urea?
The IUPAC name of propyl dihydrogen phosphate;urea (CID 88818408) is propyl dihydrogen phosphate;urea.
What is the SMILES notation for propyl dihydrogen phosphate;urea?
The canonical SMILES for propyl dihydrogen phosphate;urea is CCCOP(=O)(O)O.NC(N)=O.NC(N)=O.
What is the InChIKey of propyl dihydrogen phosphate;urea?
The InChIKey is MPTYSZJHCAWIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9O4P.2CH4N2O/c1-2-3-7-8(4,5)6;2*2-1(3)4/h2-3H2,1H3,(H2,4,5,6);2*(H4,2,3,4).
What are the key properties of propyl dihydrogen phosphate;urea?
propyl dihydrogen phosphate;urea has a molecular weight of 260.19 g/mol, XLogP of -1.45, 3 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl dihydrogen phosphate;urea is sourced from PubChem (CID 88818408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).