CID 57486781

H4O7P2Sn — CID 57486781

IUPAC—
SMILESO=P(O)(O)OP(=O)(O)O.[Sn]
InChIInChI=1S/H4O7P2.Sn/c1-8(2,3)7-9(4,5)6;/h(H2,1,2,3)(H2,4,5,6);
InChIKeyYRSIMOVJWYUTSD-UHFFFAOYSA-N
MW296.68 g/mol
LogP-1.19
Rot. Bonds2

About CID 57486781

CID 57486781 (PubChem CID 57486781) has the molecular formula H4O7P2Sn and a molecular weight of 296.68 g/mol.

Molecular Properties

Compound NameCID 57486781
PubChem CID57486781
Molecular FormulaH4O7P2Sn
Molecular Weight296.68 g/mol
Exact Mass297.85
IUPAC Name—
SMILESO=P(O)(O)OP(=O)(O)O.[Sn]
InChIInChI=1S/H4O7P2.Sn/c1-8(2,3)7-9(4,5)6;/h(H2,1,2,3)(H2,4,5,6);
InChIKeyYRSIMOVJWYUTSD-UHFFFAOYSA-N
XLogP-1.19
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.68
LogP ≤ 5-1.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 57486781?
The IUPAC name of CID 57486781 (CID 57486781) is not available.
What is the SMILES notation for CID 57486781?
The canonical SMILES for CID 57486781 is O=P(O)(O)OP(=O)(O)O.[Sn].
What is the InChIKey of CID 57486781?
The InChIKey is YRSIMOVJWYUTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/H4O7P2.Sn/c1-8(2,3)7-9(4,5)6;/h(H2,1,2,3)(H2,4,5,6);.
What are the key properties of CID 57486781?
CID 57486781 has a molecular weight of 296.68 g/mol, XLogP of -1.19, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57486781 is sourced from PubChem (CID 57486781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).