2,3-dihydroxybutanedioic acid;bis(prop-1-en-2-olate)

C10H16O8-2 — CID 86603507

IUPAC2,3-dihydroxybutanedioic acid;bis(prop-1-en-2-olate)
SMILESC=C(C)[O-].C=C(C)[O-].O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C4H6O6.2C3H6O/c5-1(3(7)8)2(6)4(9)10;2*1-3(2)4/h1-2,5-6H,(H,7,8)(H,9,10);2*4H,1H2,2H3/p-2
InChIKeyLVJNDNSDLJFASK-UHFFFAOYSA-L
MW264.23 g/mol
LogP-2.36
Rot. Bonds3

About 2,3-dihydroxybutanedioic acid;bis(prop-1-en-2-olate)

2,3-dihydroxybutanedioic acid;bis(prop-1-en-2-olate) (PubChem CID 86603507) has the molecular formula C10H16O8-2 and a molecular weight of 264.23 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioic acid;bis(prop-1-en-2-olate).

Molecular Properties

Compound Name2,3-dihydroxybutanedioic acid;bis(prop-1-en-2-olate)
PubChem CID86603507
Molecular FormulaC10H16O8-2
Molecular Weight264.23 g/mol
Exact Mass264.09
IUPAC Name2,3-dihydroxybutanedioic acid;bis(prop-1-en-2-olate)
SMILESC=C(C)[O-].C=C(C)[O-].O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C4H6O6.2C3H6O/c5-1(3(7)8)2(6)4(9)10;2*1-3(2)4/h1-2,5-6H,(H,7,8)(H,9,10);2*4H,1H2,2H3/p-2
InChIKeyLVJNDNSDLJFASK-UHFFFAOYSA-L
XLogP-2.36
TPSA161.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 5-2.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

sodium;2,3-dihydroxybutanedioic acid;acetate
CID 89497134
(2S,3R)-2,3,4-trihydroxy-4-oxobutanoate
CID 24755569
methylazanium;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate
CID 139045346
sodium;2,3-dihydroxybutanedioic acid;hydrogen carbonate;hydrate
CID 162037080
chromium(3+);tris(2,3,4-trihydroxy-4-oxobutanoate)
CID 173015328
azanium 2,3,4-trihydroxy-4-oxobutanoate
CID 6432315
alumane;2,3-dihydroxybutanedioic acid
CID 173001814
2,3-dihydroxybutanedioic acid;rhodium
CID 88806318
azane;(2R,3S)-2,3-dihydroxybutanedioic acid
CID 175972290
CID 175721627
CID 175721627
CID 88745910
CID 88745910
(2R,3S)-2,3-dihydroxybutanedioic acid;zinc
CID 175911129

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioic acid;bis(prop-1-en-2-olate)?
The IUPAC name of 2,3-dihydroxybutanedioic acid;bis(prop-1-en-2-olate) (CID 86603507) is 2,3-dihydroxybutanedioic acid;bis(prop-1-en-2-olate).
What is the SMILES notation for 2,3-dihydroxybutanedioic acid;bis(prop-1-en-2-olate)?
The canonical SMILES for 2,3-dihydroxybutanedioic acid;bis(prop-1-en-2-olate) is C=C(C)[O-].C=C(C)[O-].O=C(O)C(O)C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxybutanedioic acid;bis(prop-1-en-2-olate)?
The InChIKey is LVJNDNSDLJFASK-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H6O6.2C3H6O/c5-1(3(7)8)2(6)4(9)10;2*1-3(2)4/h1-2,5-6H,(H,7,8)(H,9,10);2*4H,1H2,2H3/p-2.
What are the key properties of 2,3-dihydroxybutanedioic acid;bis(prop-1-en-2-olate)?
2,3-dihydroxybutanedioic acid;bis(prop-1-en-2-olate) has a molecular weight of 264.23 g/mol, XLogP of -2.36, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybutanedioic acid;bis(prop-1-en-2-olate) is sourced from PubChem (CID 86603507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).