(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-5-oxofuran-2-carbaldehyde

C7H8O7 — CID 141170520

IUPAC(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-5-oxofuran-2-carbaldehyde
SMILESO=C[C@]1([C@@H](O)CO)OC(=O)C(O)=C1O
InChIInChI=1S/C7H8O7/c8-1-3(10)7(2-9)5(12)4(11)6(13)14-7/h2-3,8,10-12H,1H2/t3-,7+/m0/s1
InChIKeyRPKRTQUHLQKXKM-CLTAVNFZSA-N
MW204.13 g/mol
LogP-1.84
Rot. Bonds3

About (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-5-oxofuran-2-carbaldehyde

(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-5-oxofuran-2-carbaldehyde (PubChem CID 141170520) has the molecular formula C7H8O7 and a molecular weight of 204.13 g/mol. Its IUPAC name is (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-5-oxofuran-2-carbaldehyde.

Molecular Properties

Compound Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-5-oxofuran-2-carbaldehyde
PubChem CID141170520
Molecular FormulaC7H8O7
Molecular Weight204.13 g/mol
Exact Mass204.03
IUPAC Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-5-oxofuran-2-carbaldehyde
SMILESO=C[C@]1([C@@H](O)CO)OC(=O)C(O)=C1O
InChIInChI=1S/C7H8O7/c8-1-3(10)7(2-9)5(12)4(11)6(13)14-7/h2-3,8,10-12H,1H2/t3-,7+/m0/s1
InChIKeyRPKRTQUHLQKXKM-CLTAVNFZSA-N
XLogP-1.84
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.13
LogP ≤ 5-1.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-5-oxofuran-2-carbaldehyde 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

Hex-2-enaro-1,4-lactone ethyl ester
CID 54704415
Methyl ascorbic acid
CID 54750753
(2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetaldehyde
CID 71660639
L-threo-Hex-2-enaric acid 1,4-Lactone
CID 54707215
methyl (2R)-2-[(2R)-4-acetyl-3-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetate
CID 54733271
Ascorbic Acid EP Impurity H
CID 125336450
2,3-dihydroxybutanedioic acid;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 54683891
2-[2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethoxy]acetaldehyde
CID 54699093
3-[[2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethoxy]methyl]oxolane-2,5-dione
CID 54712517
2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxy-acetic acid
CID 54712604
(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-methyl-2-oxofuran-3-olate
CID 54750752
(5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-5-methylfuran-2-one
CID 54750755

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-5-oxofuran-2-carbaldehyde?
The IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-5-oxofuran-2-carbaldehyde (CID 141170520) is (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-5-oxofuran-2-carbaldehyde.
What is the SMILES notation for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-5-oxofuran-2-carbaldehyde?
The canonical SMILES for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-5-oxofuran-2-carbaldehyde is O=C[C@]1([C@@H](O)CO)OC(=O)C(O)=C1O.
What is the InChIKey of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-5-oxofuran-2-carbaldehyde?
The InChIKey is RPKRTQUHLQKXKM-CLTAVNFZSA-N. The full InChI is InChI=1S/C7H8O7/c8-1-3(10)7(2-9)5(12)4(11)6(13)14-7/h2-3,8,10-12H,1H2/t3-,7+/m0/s1.
What are the key properties of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-5-oxofuran-2-carbaldehyde?
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-5-oxofuran-2-carbaldehyde has a molecular weight of 204.13 g/mol, XLogP of -1.84, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-5-oxofuran-2-carbaldehyde is sourced from PubChem (CID 141170520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).