disodium;2,3-dihydroxypropyl phosphate

C3H7Na2O6P — CID 14754

IUPACdisodium;2,3-dihydroxypropyl phosphate
SMILESO=P([O-])([O-])OCC(O)CO.[Na+].[Na+]
InChIInChI=1S/C3H9O6P.2Na/c4-1-3(5)2-9-10(6,7)8;;/h3-5H,1-2H2,(H2,6,7,8);;/q;2*+1/p-2
InChIKeyGEKBIENFFVFKRG-UHFFFAOYSA-L
MW216.04 g/mol
LogP-8.81
Rot. Bonds4

About disodium;2,3-dihydroxypropyl phosphate

disodium;2,3-dihydroxypropyl phosphate (PubChem CID 14754) has the molecular formula C3H7Na2O6P and a molecular weight of 216.04 g/mol. Its IUPAC name is disodium;2,3-dihydroxypropyl phosphate.

Molecular Properties

Compound Namedisodium;2,3-dihydroxypropyl phosphate
PubChem CID14754
Molecular FormulaC3H7Na2O6P
Molecular Weight216.04 g/mol
Exact Mass215.98
IUPAC Namedisodium;2,3-dihydroxypropyl phosphate
SMILESO=P([O-])([O-])OCC(O)CO.[Na+].[Na+]
InChIInChI=1S/C3H9O6P.2Na/c4-1-3(5)2-9-10(6,7)8;;/h3-5H,1-2H2,(H2,6,7,8);;/q;2*+1/p-2
InChIKeyGEKBIENFFVFKRG-UHFFFAOYSA-L
XLogP-8.81
TPSA112.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.04
LogP ≤ 5-8.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Glyceryl 1-phosphate
CID 754
beta-Glycerophosphate
CID 2526
sn-Glycerol 3-phosphate
CID 439162
Calcium Glycerophosphate
CID 62820
Potassium glycerophosphate
CID 80278
Npc321909
CID 7048686
L-alpha-Glycerophosphate
CID 439276
Magnesium glycerophosphate
CID 10012877
Sodium 2-glycerophosphate pentahydrate
CID 2735049
Disodium glycerophosphate
CID 6101544
beta-Glycerophosphate disodium salt hydrate
CID 16219387
1,3-Dihydroxypropan-2-yl phosphate
CID 3611397

Frequently Asked Questions

What is the IUPAC name of disodium;2,3-dihydroxypropyl phosphate?
The IUPAC name of disodium;2,3-dihydroxypropyl phosphate (CID 14754) is disodium;2,3-dihydroxypropyl phosphate.
What is the SMILES notation for disodium;2,3-dihydroxypropyl phosphate?
The canonical SMILES for disodium;2,3-dihydroxypropyl phosphate is O=P([O-])([O-])OCC(O)CO.[Na+].[Na+].
What is the InChIKey of disodium;2,3-dihydroxypropyl phosphate?
The InChIKey is GEKBIENFFVFKRG-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H9O6P.2Na/c4-1-3(5)2-9-10(6,7)8;;/h3-5H,1-2H2,(H2,6,7,8);;/q;2*+1/p-2.
What are the key properties of disodium;2,3-dihydroxypropyl phosphate?
disodium;2,3-dihydroxypropyl phosphate has a molecular weight of 216.04 g/mol, XLogP of -8.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2,3-dihydroxypropyl phosphate is sourced from PubChem (CID 14754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).