2,3-dihydroxy-2,3-bis[(3-methyloxiran-2-yl)methyl]butanedioic acid

C12H18O8 — CID 19003989

IUPAC2,3-dihydroxy-2,3-bis[(3-methyloxiran-2-yl)methyl]butanedioic acid
SMILESCC1OC1CC(O)(C(=O)O)C(O)(CC1OC1C)C(=O)O
InChIInChI=1S/C12H18O8/c1-5-7(19-5)3-11(17,9(13)14)12(18,10(15)16)4-8-6(2)20-8/h5-8,17-18H,3-4H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyQFOJPDPTGTWVOS-UHFFFAOYSA-N
MW290.27 g/mol
LogP-1.03
Rot. Bonds7

About 2,3-dihydroxy-2,3-bis[(3-methyloxiran-2-yl)methyl]butanedioic acid

2,3-dihydroxy-2,3-bis[(3-methyloxiran-2-yl)methyl]butanedioic acid (PubChem CID 19003989) has the molecular formula C12H18O8 and a molecular weight of 290.27 g/mol. Its IUPAC name is 2,3-dihydroxy-2,3-bis[(3-methyloxiran-2-yl)methyl]butanedioic acid.

Molecular Properties

Compound Name2,3-dihydroxy-2,3-bis[(3-methyloxiran-2-yl)methyl]butanedioic acid
PubChem CID19003989
Molecular FormulaC12H18O8
Molecular Weight290.27 g/mol
Exact Mass290.10
IUPAC Name2,3-dihydroxy-2,3-bis[(3-methyloxiran-2-yl)methyl]butanedioic acid
SMILESCC1OC1CC(O)(C(=O)O)C(O)(CC1OC1C)C(=O)O
InChIInChI=1S/C12H18O8/c1-5-7(19-5)3-11(17,9(13)14)12(18,10(15)16)4-8-6(2)20-8/h5-8,17-18H,3-4H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyQFOJPDPTGTWVOS-UHFFFAOYSA-N
XLogP-1.03
TPSA140.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2,3-dihydroxy-2,3-bis[(3-methyloxiran-2-yl)methyl]butanedioic 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 2,3-dihydroxy-2,3-bis[(3-methyloxiran-2-yl)methyl]butanedioic acid?
The IUPAC name of 2,3-dihydroxy-2,3-bis[(3-methyloxiran-2-yl)methyl]butanedioic acid (CID 19003989) is 2,3-dihydroxy-2,3-bis[(3-methyloxiran-2-yl)methyl]butanedioic acid.
What is the SMILES notation for 2,3-dihydroxy-2,3-bis[(3-methyloxiran-2-yl)methyl]butanedioic acid?
The canonical SMILES for 2,3-dihydroxy-2,3-bis[(3-methyloxiran-2-yl)methyl]butanedioic acid is CC1OC1CC(O)(C(=O)O)C(O)(CC1OC1C)C(=O)O.
What is the InChIKey of 2,3-dihydroxy-2,3-bis[(3-methyloxiran-2-yl)methyl]butanedioic acid?
The InChIKey is QFOJPDPTGTWVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O8/c1-5-7(19-5)3-11(17,9(13)14)12(18,10(15)16)4-8-6(2)20-8/h5-8,17-18H,3-4H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2,3-dihydroxy-2,3-bis[(3-methyloxiran-2-yl)methyl]butanedioic acid?
2,3-dihydroxy-2,3-bis[(3-methyloxiran-2-yl)methyl]butanedioic acid has a molecular weight of 290.27 g/mol, XLogP of -1.03, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-2,3-bis[(3-methyloxiran-2-yl)methyl]butanedioic acid is sourced from PubChem (CID 19003989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).