CID 159938136

C3H5CaO6P — CID 159938136

IUPAC—
SMILESO=C(O)C(CO)O[P+](=O)[O-].[Ca]
InChIInChI=1S/C3H5O6P.Ca/c4-1-2(3(5)6)9-10(7)8;/h2,4H,1H2,(H,5,6);
InChIKeyOANIMBSZGVRPEW-UHFFFAOYSA-N
MW208.12 g/mol
LogP-1.91
Rot. Bonds4

About CID 159938136

CID 159938136 (PubChem CID 159938136) has the molecular formula C3H5CaO6P and a molecular weight of 208.12 g/mol.

Molecular Properties

Compound NameCID 159938136
PubChem CID159938136
Molecular FormulaC3H5CaO6P
Molecular Weight208.12 g/mol
Exact Mass207.94
IUPAC Name—
SMILESO=C(O)C(CO)O[P+](=O)[O-].[Ca]
InChIInChI=1S/C3H5O6P.Ca/c4-1-2(3(5)6)9-10(7)8;/h2,4H,1H2,(H,5,6);
InChIKeyOANIMBSZGVRPEW-UHFFFAOYSA-N
XLogP-1.91
TPSA106.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.12
LogP ≤ 5-1.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 159938136?
The IUPAC name of CID 159938136 (CID 159938136) is not available.
What is the SMILES notation for CID 159938136?
The canonical SMILES for CID 159938136 is O=C(O)C(CO)O[P+](=O)[O-].[Ca].
What is the InChIKey of CID 159938136?
The InChIKey is OANIMBSZGVRPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5O6P.Ca/c4-1-2(3(5)6)9-10(7)8;/h2,4H,1H2,(H,5,6);.
What are the key properties of CID 159938136?
CID 159938136 has a molecular weight of 208.12 g/mol, XLogP of -1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159938136 is sourced from PubChem (CID 159938136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).