trisodium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-oxido-5-oxo-2H-furan-4-yl] phosphate

C6H6Na3O9P — CID 10990876

IUPACtrisodium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-oxido-5-oxo-2H-furan-4-yl] phosphate
SMILESO=C1O[C@H]([C@@H](O)CO)C([O-])=C1OP(=O)([O-])[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C6H9O9P.3Na/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13;;;/h2,4,7-9H,1H2,(H2,11,12,13);;;/q;3*+1/p-3/t2-,4+;;;/m0.../s1
InChIKeyYRWWOAFMPXPHEJ-OFBPEYICSA-K
MW322.05 g/mol
LogP-13.31
Rot. Bonds4

About trisodium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-oxido-5-oxo-2H-furan-4-yl] phosphate

trisodium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-oxido-5-oxo-2H-furan-4-yl] phosphate (PubChem CID 10990876) has the molecular formula C6H6Na3O9P and a molecular weight of 322.05 g/mol. Its IUPAC name is trisodium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-oxido-5-oxo-2H-furan-4-yl] phosphate.

Molecular Properties

Compound Nametrisodium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-oxido-5-oxo-2H-furan-4-yl] phosphate
PubChem CID10990876
Molecular FormulaC6H6Na3O9P
Molecular Weight322.05 g/mol
Exact Mass321.94
IUPAC Nametrisodium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-oxido-5-oxo-2H-furan-4-yl] phosphate
SMILESO=C1O[C@H]([C@@H](O)CO)C([O-])=C1OP(=O)([O-])[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C6H9O9P.3Na/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13;;;/h2,4,7-9H,1H2,(H2,11,12,13);;;/q;3*+1/p-3/t2-,4+;;;/m0.../s1
InChIKeyYRWWOAFMPXPHEJ-OFBPEYICSA-K
XLogP-13.31
TPSA162.24 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.05
LogP ≤ 5-13.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

Sodium Ascorbate
CID 23667548
Sodium Erythorbate
CID 23683938
Ascorbate
CID 54679076
Magnesium Ascorbyl Phosphate
CID 71587428
Disodium ascorbyl sulfate
CID 71587176
Ascorbic acid 2-phosphate
CID 54679073
isoascorbic acid, sodium salt
CID 54702495
L-Ascorbate-2-Phosphate
CID 54702575
Sodium erythorbate monohydrate
CID 23696296
L-Ascorbic acid, sodium salt
CID 23424000
D-erythro-Hex-2-enonic acid, g-lactone, monosodium salt
CID 54680695
Ascorbic acid 2-phosphate magnesium salt
CID 54679072

Frequently Asked Questions

What is the IUPAC name of trisodium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-oxido-5-oxo-2H-furan-4-yl] phosphate?
The IUPAC name of trisodium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-oxido-5-oxo-2H-furan-4-yl] phosphate (CID 10990876) is trisodium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-oxido-5-oxo-2H-furan-4-yl] phosphate.
What is the SMILES notation for trisodium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-oxido-5-oxo-2H-furan-4-yl] phosphate?
The canonical SMILES for trisodium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-oxido-5-oxo-2H-furan-4-yl] phosphate is O=C1O[C@H]([C@@H](O)CO)C([O-])=C1OP(=O)([O-])[O-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-oxido-5-oxo-2H-furan-4-yl] phosphate?
The InChIKey is YRWWOAFMPXPHEJ-OFBPEYICSA-K. The full InChI is InChI=1S/C6H9O9P.3Na/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13;;;/h2,4,7-9H,1H2,(H2,11,12,13);;;/q;3*+1/p-3/t2-,4+;;;/m0.../s1.
What are the key properties of trisodium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-oxido-5-oxo-2H-furan-4-yl] phosphate?
trisodium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-oxido-5-oxo-2H-furan-4-yl] phosphate has a molecular weight of 322.05 g/mol, XLogP of -13.31, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-oxido-5-oxo-2H-furan-4-yl] phosphate is sourced from PubChem (CID 10990876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).