(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dimethoxy-2H-furan-5-one

C8H12O6 — CID 6995625

IUPAC(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dimethoxy-2H-furan-5-one
SMILESCOC1=C(OC)[C@@H]([C@@H](O)CO)OC1=O
InChIInChI=1S/C8H12O6/c1-12-6-5(4(10)3-9)14-8(11)7(6)13-2/h4-5,9-10H,3H2,1-2H3/t4-,5+/m0/s1
InChIKeyPLFZSHMRIUGRDH-CRCLSJGQSA-N
MW204.18 g/mol
LogP-1.23
Rot. Bonds4

About (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dimethoxy-2H-furan-5-one

(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dimethoxy-2H-furan-5-one (PubChem CID 6995625) has the molecular formula C8H12O6 and a molecular weight of 204.18 g/mol. Its IUPAC name is (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dimethoxy-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dimethoxy-2H-furan-5-one
PubChem CID6995625
Molecular FormulaC8H12O6
Molecular Weight204.18 g/mol
Exact Mass204.06
IUPAC Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dimethoxy-2H-furan-5-one
SMILESCOC1=C(OC)[C@@H]([C@@H](O)CO)OC1=O
InChIInChI=1S/C8H12O6/c1-12-6-5(4(10)3-9)14-8(11)7(6)13-2/h4-5,9-10H,3H2,1-2H3/t4-,5+/m0/s1
InChIKeyPLFZSHMRIUGRDH-CRCLSJGQSA-N
XLogP-1.23
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dimethoxy-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
Sodium Ascorbate
CID 23667548
Erythorbic Acid
CID 54675810
Calcium Ascorbate
CID 54740489
Sodium Erythorbate
CID 23683938
D-erythro-hex-2-enonic acid, gamma-lactone
CID 54676860
Ferrous Ascorbate
CID 86763295
Calcium ascorbate dihydrate
CID 54682536
Magnesium Ascorbate
CID 54682511
Ascorbate
CID 54679076
Manganese ascorbate
CID 90479050
Zinc Ascorbate
CID 91667835

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dimethoxy-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dimethoxy-2H-furan-5-one (CID 6995625) is (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dimethoxy-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dimethoxy-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dimethoxy-2H-furan-5-one is COC1=C(OC)[C@@H]([C@@H](O)CO)OC1=O.
What is the InChIKey of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dimethoxy-2H-furan-5-one?
The InChIKey is PLFZSHMRIUGRDH-CRCLSJGQSA-N. The full InChI is InChI=1S/C8H12O6/c1-12-6-5(4(10)3-9)14-8(11)7(6)13-2/h4-5,9-10H,3H2,1-2H3/t4-,5+/m0/s1.
What are the key properties of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dimethoxy-2H-furan-5-one?
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dimethoxy-2H-furan-5-one has a molecular weight of 204.18 g/mol, XLogP of -1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dimethoxy-2H-furan-5-one is sourced from PubChem (CID 6995625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).