diphosphono hydrogen phosphate

H5O10P3 — CID 983

IUPACdiphosphono hydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)OP(=O)(O)O
InChIInChI=1S/H5O10P3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h(H,7,8)(H2,1,2,3)(H2,4,5,6)
InChIKeyUNXRWKVEANCORM-UHFFFAOYSA-N
MW257.95 g/mol
LogP-0.69
Rot. Bonds4

About diphosphono hydrogen phosphate

diphosphono hydrogen phosphate (PubChem CID 983) has the molecular formula H5O10P3 and a molecular weight of 257.95 g/mol. Its IUPAC name is diphosphono hydrogen phosphate.

Molecular Properties

Compound Namediphosphono hydrogen phosphate
PubChem CID983
Molecular FormulaH5O10P3
Molecular Weight257.95 g/mol
Exact Mass257.91
IUPAC Namediphosphono hydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)OP(=O)(O)O
InChIInChI=1S/H5O10P3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h(H,7,8)(H2,1,2,3)(H2,4,5,6)
InChIKeyUNXRWKVEANCORM-UHFFFAOYSA-N
XLogP-0.69
TPSA170.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.95
LogP ≤ 5-0.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 1023
CID 1023
CID 24454
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CID 173008659
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CID 10198893
CID 10198893
CID 23724945
CID 23724945
CID 6096959
CID 6096959
CID 9818426
CID 9818426
CID 13726205
CID 13726205
CID 11253952
CID 11253952
CID 197147
CID 197147
CID 19973792
CID 19973792
CID 71300854
CID 71300854

Frequently Asked Questions

What is the IUPAC name of diphosphono hydrogen phosphate?
The IUPAC name of diphosphono hydrogen phosphate (CID 983) is diphosphono hydrogen phosphate.
What is the SMILES notation for diphosphono hydrogen phosphate?
The canonical SMILES for diphosphono hydrogen phosphate is O=P(O)(O)OP(=O)(O)OP(=O)(O)O.
What is the InChIKey of diphosphono hydrogen phosphate?
The InChIKey is UNXRWKVEANCORM-UHFFFAOYSA-N. The full InChI is InChI=1S/H5O10P3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h(H,7,8)(H2,1,2,3)(H2,4,5,6).
What are the key properties of diphosphono hydrogen phosphate?
diphosphono hydrogen phosphate has a molecular weight of 257.95 g/mol, XLogP of -0.69, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diphosphono hydrogen phosphate is sourced from PubChem (CID 983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).