(2R)-2-[(4S)-2-deuterio-2-phenyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one

C13H12O6 — CID 54679297

IUPAC(2R)-2-[(4S)-2-deuterio-2-phenyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one
SMILES[2H]C1(c2ccccc2)OC[C@@H]([C@H]2OC(=O)C(O)=C2O)O1
InChIInChI=1S/C13H12O6/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/t8-,11+,13?/m0/s1/i13D
InChIKeySWTGJCNCBUCXSS-GUFVNPKRSA-N
MW265.24 g/mol
LogP1.35
Rot. Bonds2

About (2R)-2-[(4S)-2-deuterio-2-phenyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one

(2R)-2-[(4S)-2-deuterio-2-phenyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one (PubChem CID 54679297) has the molecular formula C13H12O6 and a molecular weight of 265.24 g/mol. Its IUPAC name is (2R)-2-[(4S)-2-deuterio-2-phenyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(4S)-2-deuterio-2-phenyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one
PubChem CID54679297
Molecular FormulaC13H12O6
Molecular Weight265.24 g/mol
Exact Mass265.07
IUPAC Name(2R)-2-[(4S)-2-deuterio-2-phenyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one
SMILES[2H]C1(c2ccccc2)OC[C@@H]([C@H]2OC(=O)C(O)=C2O)O1
InChIInChI=1S/C13H12O6/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/t8-,11+,13?/m0/s1/i13D
InChIKeySWTGJCNCBUCXSS-GUFVNPKRSA-N
XLogP1.35
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(4S)-2-deuterio-2-phenyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one with MolForge

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Related Compounds

sodium (2R)-4-hydroxy-5-oxo-2-(2-phenyl-1,3-dioxolan-4-yl)-2H-furan-3-olate
CID 56924621
2-[(4S)-2-[2-[bis(phenylmethoxy)methylamino]ethyl]-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one
CID 146603521
(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
2-phenyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
CID 14654084
(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
4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
CID 630953
(1R,2R,4R,7S,9R,12R)-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,7]tridecane
CID 15481441
2-[(4S,4aR,8aS)-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]-2-oxoacetic acid
CID 70564388
[(5R)-2,4-dioxo-5-[(4S)-2-phenyl-1,3-dioxolan-4-yl]oxolan-3-yl] dihydrogen phosphate
CID 91572755
(2R,4aR,6S,7R,8S,8aR)-2-deuterio-6-methoxy-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 50907134
4,11-diphenyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
CID 4094030

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4S)-2-deuterio-2-phenyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one?
The IUPAC name of (2R)-2-[(4S)-2-deuterio-2-phenyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one (CID 54679297) is (2R)-2-[(4S)-2-deuterio-2-phenyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(4S)-2-deuterio-2-phenyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(4S)-2-deuterio-2-phenyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one is [2H]C1(c2ccccc2)OC[C@@H]([C@H]2OC(=O)C(O)=C2O)O1.
What is the InChIKey of (2R)-2-[(4S)-2-deuterio-2-phenyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one?
The InChIKey is SWTGJCNCBUCXSS-GUFVNPKRSA-N. The full InChI is InChI=1S/C13H12O6/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/t8-,11+,13?/m0/s1/i13D.
What are the key properties of (2R)-2-[(4S)-2-deuterio-2-phenyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one?
(2R)-2-[(4S)-2-deuterio-2-phenyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one has a molecular weight of 265.24 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4S)-2-deuterio-2-phenyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one is sourced from PubChem (CID 54679297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).