sodium (2R)-4-hydroxy-5-oxo-2-(2-phenyl-1,3-dioxolan-4-yl)-2H-furan-3-olate

C13H11NaO6 — CID 56924621

IUPACsodium (2R)-4-hydroxy-5-oxo-2-(2-phenyl-1,3-dioxolan-4-yl)-2H-furan-3-olate
SMILESO=C1O[C@H](C2COC(c3ccccc3)O2)C([O-])=C1O.[Na+]
InChIInChI=1S/C13H12O6.Na/c14-9-10(15)12(16)19-11(9)8-6-17-13(18-8)7-4-2-1-3-5-7;/h1-5,8,11,13-15H,6H2;/q;+1/p-1/t8?,11-,13?;/m1./s1
InChIKeyJLUAVHQVEFDQEO-QMWFTNHPSA-M
MW286.21 g/mol
LogP-2.84
Rot. Bonds2

About sodium (2R)-4-hydroxy-5-oxo-2-(2-phenyl-1,3-dioxolan-4-yl)-2H-furan-3-olate

sodium (2R)-4-hydroxy-5-oxo-2-(2-phenyl-1,3-dioxolan-4-yl)-2H-furan-3-olate (PubChem CID 56924621) has the molecular formula C13H11NaO6 and a molecular weight of 286.21 g/mol. Its IUPAC name is sodium (2R)-4-hydroxy-5-oxo-2-(2-phenyl-1,3-dioxolan-4-yl)-2H-furan-3-olate.

Molecular Properties

Compound Namesodium (2R)-4-hydroxy-5-oxo-2-(2-phenyl-1,3-dioxolan-4-yl)-2H-furan-3-olate
PubChem CID56924621
Molecular FormulaC13H11NaO6
Molecular Weight286.21 g/mol
Exact Mass286.05
IUPAC Namesodium (2R)-4-hydroxy-5-oxo-2-(2-phenyl-1,3-dioxolan-4-yl)-2H-furan-3-olate
SMILESO=C1O[C@H](C2COC(c3ccccc3)O2)C([O-])=C1O.[Na+]
InChIInChI=1S/C13H12O6.Na/c14-9-10(15)12(16)19-11(9)8-6-17-13(18-8)7-4-2-1-3-5-7;/h1-5,8,11,13-15H,6H2;/q;+1/p-1/t8?,11-,13?;/m1./s1
InChIKeyJLUAVHQVEFDQEO-QMWFTNHPSA-M
XLogP-2.84
TPSA88.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 5-2.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
CID 14654084
(2R)-2-[(4S)-2-deuterio-2-phenyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one
CID 54679297
(2S,4aR,7R,7aR)-7-hydroxy-2-phenyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
CID 11207085
(2R,4aS,7R,7aS)-7-hydroxy-2-phenyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
CID 24858466
(1R,2R,4R,7S,9R,12R)-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,7]tridecane
CID 15481441
4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
CID 630953
[(5R)-2,4-dioxo-5-[(4S)-2-phenyl-1,3-dioxolan-4-yl]oxolan-3-yl] dihydrogen phosphate
CID 91572755
(2S,4R,4aR,6R,8aS)-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4-carbaldehyde
CID 680159
(1R,3S,7R,10S,12R)-12-phenyl-2,6,11,13-tetraoxatricyclo[8.4.0.03,7]tetradecan-5-one
CID 11185375
(1R,3R,7R,9R,11S)-11-phenyl-2,6,10,12-tetraoxatricyclo[7.4.0.03,7]tridecan-5-one
CID 24895717
2-phenyl-1,3-dioxolan-4-ol
CID 23288237
(1R,2R,4R,7S,10R)-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane
CID 126969884

Frequently Asked Questions

What is the IUPAC name of sodium (2R)-4-hydroxy-5-oxo-2-(2-phenyl-1,3-dioxolan-4-yl)-2H-furan-3-olate?
The IUPAC name of sodium (2R)-4-hydroxy-5-oxo-2-(2-phenyl-1,3-dioxolan-4-yl)-2H-furan-3-olate (CID 56924621) is sodium (2R)-4-hydroxy-5-oxo-2-(2-phenyl-1,3-dioxolan-4-yl)-2H-furan-3-olate.
What is the SMILES notation for sodium (2R)-4-hydroxy-5-oxo-2-(2-phenyl-1,3-dioxolan-4-yl)-2H-furan-3-olate?
The canonical SMILES for sodium (2R)-4-hydroxy-5-oxo-2-(2-phenyl-1,3-dioxolan-4-yl)-2H-furan-3-olate is O=C1O[C@H](C2COC(c3ccccc3)O2)C([O-])=C1O.[Na+].
What is the InChIKey of sodium (2R)-4-hydroxy-5-oxo-2-(2-phenyl-1,3-dioxolan-4-yl)-2H-furan-3-olate?
The InChIKey is JLUAVHQVEFDQEO-QMWFTNHPSA-M. The full InChI is InChI=1S/C13H12O6.Na/c14-9-10(15)12(16)19-11(9)8-6-17-13(18-8)7-4-2-1-3-5-7;/h1-5,8,11,13-15H,6H2;/q;+1/p-1/t8?,11-,13?;/m1./s1.
What are the key properties of sodium (2R)-4-hydroxy-5-oxo-2-(2-phenyl-1,3-dioxolan-4-yl)-2H-furan-3-olate?
sodium (2R)-4-hydroxy-5-oxo-2-(2-phenyl-1,3-dioxolan-4-yl)-2H-furan-3-olate has a molecular weight of 286.21 g/mol, XLogP of -2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2R)-4-hydroxy-5-oxo-2-(2-phenyl-1,3-dioxolan-4-yl)-2H-furan-3-olate is sourced from PubChem (CID 56924621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).