cyanamide;diphosphono hydrogen phosphate

CH7N2O10P3 — CID 174604017

IUPACcyanamide;diphosphono hydrogen phosphate
SMILESN#CN.O=P(O)(O)OP(=O)(O)OP(=O)(O)O
InChIInChI=1S/CH2N2.H5O10P3/c2-1-3;1-11(2,3)9-13(7,8)10-12(4,5)6/h2H2;(H,7,8)(H2,1,2,3)(H2,4,5,6)
InChIKeyAPCWLFQVXCJHDP-UHFFFAOYSA-N
MW299.99 g/mol
LogP-1.27
Rot. Bonds4

About cyanamide;diphosphono hydrogen phosphate

cyanamide;diphosphono hydrogen phosphate (PubChem CID 174604017) has the molecular formula CH7N2O10P3 and a molecular weight of 299.99 g/mol. Its IUPAC name is cyanamide;diphosphono hydrogen phosphate.

Molecular Properties

Compound Namecyanamide;diphosphono hydrogen phosphate
PubChem CID174604017
Molecular FormulaCH7N2O10P3
Molecular Weight299.99 g/mol
Exact Mass299.93
IUPAC Namecyanamide;diphosphono hydrogen phosphate
SMILESN#CN.O=P(O)(O)OP(=O)(O)OP(=O)(O)O
InChIInChI=1S/CH2N2.H5O10P3/c2-1-3;1-11(2,3)9-13(7,8)10-12(4,5)6/h2H2;(H,7,8)(H2,1,2,3)(H2,4,5,6)
InChIKeyAPCWLFQVXCJHDP-UHFFFAOYSA-N
XLogP-1.27
TPSA220.63 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.99
LogP ≤ 5-1.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

CID 131848730
CID 131848730
[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
CID 10212960
hexapotassium bis(diphosphono hydrogen phosphate)
CID 170923258
CID 170843855
CID 170843855
disodium;diphosphono hydrogen phosphate;hydride
CID 174474348
alumane;[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
CID 174679314
distrontium;diphosphono hydrogen phosphate;hydride
CID 174664429
strontium;diphosphono hydrogen phosphate;hydride;indigane
CID 175142394
sodium;diphosphono hydrogen phosphate;hydride;phosphono dihydrogen phosphate
CID 174910527
barium(2+);diphosphono hydrogen phosphate;hydride;titanium
CID 174660912
dipotassium;sodium;hydride;[hydroxy(phosphonooxy)phosphoryl] phosphono hydrogen phosphate
CID 174808221
tetrakis([hydroxy(phosphonooxy)phosphoryl]oxy-phosphanylphosphinic acid);platinum
CID 159716493

Frequently Asked Questions

What is the IUPAC name of cyanamide;diphosphono hydrogen phosphate?
The IUPAC name of cyanamide;diphosphono hydrogen phosphate (CID 174604017) is cyanamide;diphosphono hydrogen phosphate.
What is the SMILES notation for cyanamide;diphosphono hydrogen phosphate?
The canonical SMILES for cyanamide;diphosphono hydrogen phosphate is N#CN.O=P(O)(O)OP(=O)(O)OP(=O)(O)O.
What is the InChIKey of cyanamide;diphosphono hydrogen phosphate?
The InChIKey is APCWLFQVXCJHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2N2.H5O10P3/c2-1-3;1-11(2,3)9-13(7,8)10-12(4,5)6/h2H2;(H,7,8)(H2,1,2,3)(H2,4,5,6).
What are the key properties of cyanamide;diphosphono hydrogen phosphate?
cyanamide;diphosphono hydrogen phosphate has a molecular weight of 299.99 g/mol, XLogP of -1.27, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyanamide;diphosphono hydrogen phosphate is sourced from PubChem (CID 174604017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).