disodium;1,3-dihydroxypropan-2-yl dihydrogen phosphate;hydrogen phosphate

C3H10Na2O10P2 — CID 172694336

IUPACdisodium;1,3-dihydroxypropan-2-yl dihydrogen phosphate;hydrogen phosphate
SMILESO=P(O)(O)OC(CO)CO.O=P([O-])([O-])O.[Na+].[Na+]
InChIInChI=1S/C3H9O6P.2Na.H3O4P/c4-1-3(2-5)9-10(6,7)8;;;1-5(2,3)4/h3-5H,1-2H2,(H2,6,7,8);;;(H3,1,2,3,4)/q;2*+1;/p-2
InChIKeyCCSGPNJPKSFRDR-UHFFFAOYSA-L
MW314.03 g/mol
LogP-9.74
Rot. Bonds4

About disodium;1,3-dihydroxypropan-2-yl dihydrogen phosphate;hydrogen phosphate

disodium;1,3-dihydroxypropan-2-yl dihydrogen phosphate;hydrogen phosphate (PubChem CID 172694336) has the molecular formula C3H10Na2O10P2 and a molecular weight of 314.03 g/mol. Its IUPAC name is disodium;1,3-dihydroxypropan-2-yl dihydrogen phosphate;hydrogen phosphate.

Molecular Properties

Compound Namedisodium;1,3-dihydroxypropan-2-yl dihydrogen phosphate;hydrogen phosphate
PubChem CID172694336
Molecular FormulaC3H10Na2O10P2
Molecular Weight314.03 g/mol
Exact Mass313.95
IUPAC Namedisodium;1,3-dihydroxypropan-2-yl dihydrogen phosphate;hydrogen phosphate
SMILESO=P(O)(O)OC(CO)CO.O=P([O-])([O-])O.[Na+].[Na+]
InChIInChI=1S/C3H9O6P.2Na.H3O4P/c4-1-3(2-5)9-10(6,7)8;;;1-5(2,3)4/h3-5H,1-2H2,(H2,6,7,8);;;(H3,1,2,3,4)/q;2*+1;/p-2
InChIKeyCCSGPNJPKSFRDR-UHFFFAOYSA-L
XLogP-9.74
TPSA190.64 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.03
LogP ≤ 5-9.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1,3-dihydroxypropan-2-yl dihydrogen phosphate;hydrate
CID 87339506
sodium 1,3-dihydroxypropan-2-yl phosphate
CID 19940238
1,3-dihydroxypropan-2-yl hydrogen phosphate
CID 66557594
[(2R)-1,5-dihydroxypentan-2-yl] dihydrogen phosphate
CID 11820087
disodium;1,3-dihydroxypropan-2-yl hydrogen phosphate;2,3-dihydroxypropyl hydrogen phosphate;hydrate
CID 134128771
(1-amino-2-hydroxyethyl) dihydrogen phosphate
CID 139774346
(1-hydroxy-3-octadecoxypropan-2-yl) dihydrogen phosphate
CID 18943334
heptan-4-yl dihydrogen phosphate
CID 18763997
tetrasodium;bis(dihydrogen phosphate);hydrogen phosphate
CID 19757615
sodium;hydrogen phosphate;dodecahydrate
CID 18980410
1,1,1,5,5,5-hexafluoropentan-3-yl dihydrogen phosphate
CID 87107506
[1-hydroxy-3-(methylaminomethoxy)propan-2-yl] 2-[[3-(methylaminomethoxy)-2-[2-[[3-(methylaminomethoxy)-2-[2-[[3-(methylaminomethoxy)-2-[2-[2-[2-[[3-(methylaminomethoxy)-2-phosphonooxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropoxy]-oxidophosphoryl]oxyethyl phosphate;methane
CID 160947848

Frequently Asked Questions

What is the IUPAC name of disodium;1,3-dihydroxypropan-2-yl dihydrogen phosphate;hydrogen phosphate?
The IUPAC name of disodium;1,3-dihydroxypropan-2-yl dihydrogen phosphate;hydrogen phosphate (CID 172694336) is disodium;1,3-dihydroxypropan-2-yl dihydrogen phosphate;hydrogen phosphate.
What is the SMILES notation for disodium;1,3-dihydroxypropan-2-yl dihydrogen phosphate;hydrogen phosphate?
The canonical SMILES for disodium;1,3-dihydroxypropan-2-yl dihydrogen phosphate;hydrogen phosphate is O=P(O)(O)OC(CO)CO.O=P([O-])([O-])O.[Na+].[Na+].
What is the InChIKey of disodium;1,3-dihydroxypropan-2-yl dihydrogen phosphate;hydrogen phosphate?
The InChIKey is CCSGPNJPKSFRDR-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H9O6P.2Na.H3O4P/c4-1-3(2-5)9-10(6,7)8;;;1-5(2,3)4/h3-5H,1-2H2,(H2,6,7,8);;;(H3,1,2,3,4)/q;2*+1;/p-2.
What are the key properties of disodium;1,3-dihydroxypropan-2-yl dihydrogen phosphate;hydrogen phosphate?
disodium;1,3-dihydroxypropan-2-yl dihydrogen phosphate;hydrogen phosphate has a molecular weight of 314.03 g/mol, XLogP of -9.74, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;1,3-dihydroxypropan-2-yl dihydrogen phosphate;hydrogen phosphate is sourced from PubChem (CID 172694336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).