(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;2-hydroxypropane-1,2,3-tricarboxylic acid

C12H16O13 — CID 67319458

IUPAC(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O
InChIInChI=1S/C6H8O7.C6H8O6/c7-3(8)1-6(13,5(11)12)2-4(9)10;7-1-2(8)5-3(9)4(10)6(11)12-5/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2,5,7-10H,1H2/t;2-,5+/m.0/s1
InChIKeyHWDDAMXOXRDYMP-MGMRMFRLSA-N
MW368.25 g/mol
LogP-2.66
Rot. Bonds7

About (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;2-hydroxypropane-1,2,3-tricarboxylic acid

(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;2-hydroxypropane-1,2,3-tricarboxylic acid (PubChem CID 67319458) has the molecular formula C12H16O13 and a molecular weight of 368.25 g/mol. Its IUPAC name is (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;2-hydroxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;2-hydroxypropane-1,2,3-tricarboxylic acid
PubChem CID67319458
Molecular FormulaC12H16O13
Molecular Weight368.25 g/mol
Exact Mass368.06
IUPAC Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O
InChIInChI=1S/C6H8O7.C6H8O6/c7-3(8)1-6(13,5(11)12)2-4(9)10;7-1-2(8)5-3(9)4(10)6(11)12-5/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2,5,7-10H,1H2/t;2-,5+/m.0/s1
InChIKeyHWDDAMXOXRDYMP-MGMRMFRLSA-N
XLogP-2.66
TPSA239.35 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.25
LogP ≤ 5-2.66
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Analyze (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;2-hydroxypropane-1,2,3-tricarboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;2-hydroxypropane-1,2,3-tricarboxylic acid?
The IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;2-hydroxypropane-1,2,3-tricarboxylic acid (CID 67319458) is (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;2-hydroxypropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;2-hydroxypropane-1,2,3-tricarboxylic acid?
The canonical SMILES for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;2-hydroxypropane-1,2,3-tricarboxylic acid is O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.
What is the InChIKey of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;2-hydroxypropane-1,2,3-tricarboxylic acid?
The InChIKey is HWDDAMXOXRDYMP-MGMRMFRLSA-N. The full InChI is InChI=1S/C6H8O7.C6H8O6/c7-3(8)1-6(13,5(11)12)2-4(9)10;7-1-2(8)5-3(9)4(10)6(11)12-5/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2,5,7-10H,1H2/t;2-,5+/m.0/s1.
What are the key properties of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;2-hydroxypropane-1,2,3-tricarboxylic acid?
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;2-hydroxypropane-1,2,3-tricarboxylic acid has a molecular weight of 368.25 g/mol, XLogP of -2.66, 7 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;2-hydroxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 67319458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).