diphosphono hydrogen phosphate;oxirane

C2H9O11P3 — CID 175253267

IUPACdiphosphono hydrogen phosphate;oxirane
SMILESC1CO1.O=P(O)(O)OP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C2H4O.H5O10P3/c1-2-3-1;1-11(2,3)9-13(7,8)10-12(4,5)6/h1-2H2;(H,7,8)(H2,1,2,3)(H2,4,5,6)
InChIKeyWUNXMGBQTSUOGW-UHFFFAOYSA-N
MW302.01 g/mol
LogP-0.68
Rot. Bonds4

About diphosphono hydrogen phosphate;oxirane

diphosphono hydrogen phosphate;oxirane (PubChem CID 175253267) has the molecular formula C2H9O11P3 and a molecular weight of 302.01 g/mol. Its IUPAC name is diphosphono hydrogen phosphate;oxirane.

Molecular Properties

Compound Namediphosphono hydrogen phosphate;oxirane
PubChem CID175253267
Molecular FormulaC2H9O11P3
Molecular Weight302.01 g/mol
Exact Mass301.94
IUPAC Namediphosphono hydrogen phosphate;oxirane
SMILESC1CO1.O=P(O)(O)OP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C2H4O.H5O10P3/c1-2-3-1;1-11(2,3)9-13(7,8)10-12(4,5)6/h1-2H2;(H,7,8)(H2,1,2,3)(H2,4,5,6)
InChIKeyWUNXMGBQTSUOGW-UHFFFAOYSA-N
XLogP-0.68
TPSA183.35 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.01
LogP ≤ 5-0.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze diphosphono hydrogen phosphate;oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diphosphono hydrogen phosphate;oxirane?
The IUPAC name of diphosphono hydrogen phosphate;oxirane (CID 175253267) is diphosphono hydrogen phosphate;oxirane.
What is the SMILES notation for diphosphono hydrogen phosphate;oxirane?
The canonical SMILES for diphosphono hydrogen phosphate;oxirane is C1CO1.O=P(O)(O)OP(=O)(O)OP(=O)(O)O.
What is the InChIKey of diphosphono hydrogen phosphate;oxirane?
The InChIKey is WUNXMGBQTSUOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O.H5O10P3/c1-2-3-1;1-11(2,3)9-13(7,8)10-12(4,5)6/h1-2H2;(H,7,8)(H2,1,2,3)(H2,4,5,6).
What are the key properties of diphosphono hydrogen phosphate;oxirane?
diphosphono hydrogen phosphate;oxirane has a molecular weight of 302.01 g/mol, XLogP of -0.68, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diphosphono hydrogen phosphate;oxirane is sourced from PubChem (CID 175253267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).