disodium;2-hydroxypropyl phosphate

C3H7Na2O5P — CID 170848495

IUPACdisodium;2-hydroxypropyl phosphate
SMILESCC(O)COP(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C3H9O5P.2Na/c1-3(4)2-8-9(5,6)7;;/h3-4H,2H2,1H3,(H2,5,6,7);;/q;2*+1/p-2
InChIKeyZVOXTSRVZYXTDD-UHFFFAOYSA-L
MW200.04 g/mol
LogP-7.78
Rot. Bonds3

About disodium;2-hydroxypropyl phosphate

disodium;2-hydroxypropyl phosphate (PubChem CID 170848495) has the molecular formula C3H7Na2O5P and a molecular weight of 200.04 g/mol. Its IUPAC name is disodium;2-hydroxypropyl phosphate.

Molecular Properties

Compound Namedisodium;2-hydroxypropyl phosphate
PubChem CID170848495
Molecular FormulaC3H7Na2O5P
Molecular Weight200.04 g/mol
Exact Mass199.98
IUPAC Namedisodium;2-hydroxypropyl phosphate
SMILESCC(O)COP(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C3H9O5P.2Na/c1-3(4)2-8-9(5,6)7;;/h3-4H,2H2,1H3,(H2,5,6,7);;/q;2*+1/p-2
InChIKeyZVOXTSRVZYXTDD-UHFFFAOYSA-L
XLogP-7.78
TPSA92.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.04
LogP ≤ 5-7.78
H-Bond Donors ≤ 51
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 disodium;2-hydroxypropyl phosphate?
The IUPAC name of disodium;2-hydroxypropyl phosphate (CID 170848495) is disodium;2-hydroxypropyl phosphate.
What is the SMILES notation for disodium;2-hydroxypropyl phosphate?
The canonical SMILES for disodium;2-hydroxypropyl phosphate is CC(O)COP(=O)([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;2-hydroxypropyl phosphate?
The InChIKey is ZVOXTSRVZYXTDD-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H9O5P.2Na/c1-3(4)2-8-9(5,6)7;;/h3-4H,2H2,1H3,(H2,5,6,7);;/q;2*+1/p-2.
What are the key properties of disodium;2-hydroxypropyl phosphate?
disodium;2-hydroxypropyl phosphate has a molecular weight of 200.04 g/mol, XLogP of -7.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-hydroxypropyl phosphate is sourced from PubChem (CID 170848495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).