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

C9H12O6 — CID 54691418

IUPAC(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one
SMILESCC1(C)OC[C@@H]([C@H]2OC(=O)C(O)=C2O)O1
InChIInChI=1S/C9H12O6/c1-9(2)13-3-4(15-9)7-5(10)6(11)8(12)14-7/h4,7,10-11H,3H2,1-2H3/t4-,7+/m0/s1
InChIKeyPOXUQBFHDHCZAD-MHTLYPKNSA-N
MW216.19 g/mol
LogP0.39
Rot. Bonds1

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

(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one (PubChem CID 54691418) has the molecular formula C9H12O6 and a molecular weight of 216.19 g/mol. Its IUPAC name is (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one
PubChem CID54691418
Molecular FormulaC9H12O6
Molecular Weight216.19 g/mol
Exact Mass216.06
IUPAC Name(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one
SMILESCC1(C)OC[C@@H]([C@H]2OC(=O)C(O)=C2O)O1
InChIInChI=1S/C9H12O6/c1-9(2)13-3-4(15-9)7-5(10)6(11)8(12)14-7/h4,7,10-11H,3H2,1-2H3/t4-,7+/m0/s1
InChIKeyPOXUQBFHDHCZAD-MHTLYPKNSA-N
XLogP0.39
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

L-Ascorbic Acid
CID 54670067
Erythorbic Acid
CID 54675810
Calcium Ascorbate
CID 54740489
D-erythro-hex-2-enonic acid, gamma-lactone
CID 54676860
Ascorbate
CID 54679076
Ferrous Ascorbate
CID 86763295
Magnesium Ascorbate
CID 54682511
Calcium ascorbate dihydrate
CID 54682536
Manganese ascorbate
CID 90479050
Zinc Ascorbate
CID 91667835
D-Ascorbic acid
CID 54690394
Calcium L-ascorbate dihydrate
CID 16211195

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one?
The IUPAC name of (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one (CID 54691418) is (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one is CC1(C)OC[C@@H]([C@H]2OC(=O)C(O)=C2O)O1.
What is the InChIKey of (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one?
The InChIKey is POXUQBFHDHCZAD-MHTLYPKNSA-N. The full InChI is InChI=1S/C9H12O6/c1-9(2)13-3-4(15-9)7-5(10)6(11)8(12)14-7/h4,7,10-11H,3H2,1-2H3/t4-,7+/m0/s1.
What are the key properties of (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one?
(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one has a molecular weight of 216.19 g/mol, XLogP of 0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one is sourced from PubChem (CID 54691418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).