trihydroxy(diisocyanato)-λ5-phosphane

C2H3N2O5P — CID 174888001

IUPACtrihydroxy(diisocyanato)-λ5-phosphane
SMILESO=C=NP(O)(O)(O)N=C=O
InChIInChI=1S/C2H3N2O5P/c5-1-3-10(7,8,9)4-2-6/h7-9H
InChIKeyBFBLFXJMVPAGKD-UHFFFAOYSA-N
MW166.03 g/mol
LogP-1.24
Rot. Bonds2

About trihydroxy(diisocyanato)-λ5-phosphane

trihydroxy(diisocyanato)-λ5-phosphane (PubChem CID 174888001) has the molecular formula C2H3N2O5P and a molecular weight of 166.03 g/mol. Its IUPAC name is trihydroxy(diisocyanato)-λ5-phosphane.

Molecular Properties

Compound Nametrihydroxy(diisocyanato)-λ5-phosphane
PubChem CID174888001
Molecular FormulaC2H3N2O5P
Molecular Weight166.03 g/mol
Exact Mass165.98
IUPAC Nametrihydroxy(diisocyanato)-λ5-phosphane
SMILESO=C=NP(O)(O)(O)N=C=O
InChIInChI=1S/C2H3N2O5P/c5-1-3-10(7,8,9)4-2-6/h7-9H
InChIKeyBFBLFXJMVPAGKD-UHFFFAOYSA-N
XLogP-1.24
TPSA119.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.03
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethyl-trihydroxy-(2-isocyanatoethyl)-λ5-phosphane
CID 150777207
2-(oxan-2-yl)acetyl isocyanate
CID 103512972
oxo(polanylimino)methane
CID 173033131
2,2-bis(phosphanyl)ethenone
CID 176547952
isocyanatomethanol
CID 22134319
diaminophosphanylimino(oxo)methane
CID 71350775
(NE)-N-(1-isocyanatopropan-2-ylidene)hydroxylamine
CID 141465847
methylimino(oxo)methane;2-methylpropan-2-ol
CID 91600333
carbanide;methanidylimino(oxo)methane;methanol;uranium;tetrakis(uranium(2+))
CID 160955770
diisocyanatomethane;methanediol
CID 91356250
bismuthane;isocyanatobismuthane
CID 173301787
potassium methanidylimino(oxo)methane
CID 151867234

Frequently Asked Questions

What is the IUPAC name of trihydroxy(diisocyanato)-λ5-phosphane?
The IUPAC name of trihydroxy(diisocyanato)-λ5-phosphane (CID 174888001) is trihydroxy(diisocyanato)-λ5-phosphane.
What is the SMILES notation for trihydroxy(diisocyanato)-λ5-phosphane?
The canonical SMILES for trihydroxy(diisocyanato)-λ5-phosphane is O=C=NP(O)(O)(O)N=C=O.
What is the InChIKey of trihydroxy(diisocyanato)-λ5-phosphane?
The InChIKey is BFBLFXJMVPAGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N2O5P/c5-1-3-10(7,8,9)4-2-6/h7-9H.
What are the key properties of trihydroxy(diisocyanato)-λ5-phosphane?
trihydroxy(diisocyanato)-λ5-phosphane has a molecular weight of 166.03 g/mol, XLogP of -1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy(diisocyanato)-λ5-phosphane is sourced from PubChem (CID 174888001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).