cyclohexyl-N-[cyclohexyl(hydroxy)phosphoryl]phosphonamidic acid

C12H25NO4P2 — CID 87473548

IUPACcyclohexyl-N-[cyclohexyl(hydroxy)phosphoryl]phosphonamidic acid
SMILESO=P(O)(NP(=O)(O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C12H25NO4P2/c14-18(15,11-7-3-1-4-8-11)13-19(16,17)12-9-5-2-6-10-12/h11-12H,1-10H2,(H3,13,14,15,16,17)
InChIKeyGAAASZWOKJIDEH-UHFFFAOYSA-N
MW309.28 g/mol
LogP3.61
Rot. Bonds4

About cyclohexyl-N-[cyclohexyl(hydroxy)phosphoryl]phosphonamidic acid

cyclohexyl-N-[cyclohexyl(hydroxy)phosphoryl]phosphonamidic acid (PubChem CID 87473548) has the molecular formula C12H25NO4P2 and a molecular weight of 309.28 g/mol. Its IUPAC name is cyclohexyl-N-[cyclohexyl(hydroxy)phosphoryl]phosphonamidic acid.

Molecular Properties

Compound Namecyclohexyl-N-[cyclohexyl(hydroxy)phosphoryl]phosphonamidic acid
PubChem CID87473548
Molecular FormulaC12H25NO4P2
Molecular Weight309.28 g/mol
Exact Mass309.13
IUPAC Namecyclohexyl-N-[cyclohexyl(hydroxy)phosphoryl]phosphonamidic acid
SMILESO=P(O)(NP(=O)(O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C12H25NO4P2/c14-18(15,11-7-3-1-4-8-11)13-19(16,17)12-9-5-2-6-10-12/h11-12H,1-10H2,(H3,13,14,15,16,17)
InChIKeyGAAASZWOKJIDEH-UHFFFAOYSA-N
XLogP3.61
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-N-[cyclohexyl(hydroxy)phosphoryl]phosphonamidic acid?
The IUPAC name of cyclohexyl-N-[cyclohexyl(hydroxy)phosphoryl]phosphonamidic acid (CID 87473548) is cyclohexyl-N-[cyclohexyl(hydroxy)phosphoryl]phosphonamidic acid.
What is the SMILES notation for cyclohexyl-N-[cyclohexyl(hydroxy)phosphoryl]phosphonamidic acid?
The canonical SMILES for cyclohexyl-N-[cyclohexyl(hydroxy)phosphoryl]phosphonamidic acid is O=P(O)(NP(=O)(O)C1CCCCC1)C1CCCCC1.
What is the InChIKey of cyclohexyl-N-[cyclohexyl(hydroxy)phosphoryl]phosphonamidic acid?
The InChIKey is GAAASZWOKJIDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4P2/c14-18(15,11-7-3-1-4-8-11)13-19(16,17)12-9-5-2-6-10-12/h11-12H,1-10H2,(H3,13,14,15,16,17).
What are the key properties of cyclohexyl-N-[cyclohexyl(hydroxy)phosphoryl]phosphonamidic acid?
cyclohexyl-N-[cyclohexyl(hydroxy)phosphoryl]phosphonamidic acid has a molecular weight of 309.28 g/mol, XLogP of 3.61, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-N-[cyclohexyl(hydroxy)phosphoryl]phosphonamidic acid is sourced from PubChem (CID 87473548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).