(Z)-but-2-enedioic acid;bis(2,3-dihydroxypropanoic acid)

C10H16O12 — CID 162142261

IUPAC(Z)-but-2-enedioic acid;bis(2,3-dihydroxypropanoic acid)
SMILESO=C(O)/C=C\C(=O)O.O=C(O)C(O)CO.O=C(O)C(O)CO
InChIInChI=1S/C4H4O4.2C3H6O4/c5-3(6)1-2-4(7)8;2*4-1-2(5)3(6)7/h1-2H,(H,5,6)(H,7,8);2*2,4-5H,1H2,(H,6,7)/b2-1-;;
InChIKeyMUJMEHVZHRSDDO-UAIGNFCESA-N
MW328.23 g/mol
LogP-3.44
Rot. Bonds6

About (Z)-but-2-enedioic acid;bis(2,3-dihydroxypropanoic acid)

(Z)-but-2-enedioic acid;bis(2,3-dihydroxypropanoic acid) (PubChem CID 162142261) has the molecular formula C10H16O12 and a molecular weight of 328.23 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;bis(2,3-dihydroxypropanoic acid).

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;bis(2,3-dihydroxypropanoic acid)
PubChem CID162142261
Molecular FormulaC10H16O12
Molecular Weight328.23 g/mol
Exact Mass328.06
IUPAC Name(Z)-but-2-enedioic acid;bis(2,3-dihydroxypropanoic acid)
SMILESO=C(O)/C=C\C(=O)O.O=C(O)C(O)CO.O=C(O)C(O)CO
InChIInChI=1S/C4H4O4.2C3H6O4/c5-3(6)1-2-4(7)8;2*4-1-2(5)3(6)7/h1-2H,(H,5,6)(H,7,8);2*2,4-5H,1H2,(H,6,7)/b2-1-;;
InChIKeyMUJMEHVZHRSDDO-UAIGNFCESA-N
XLogP-3.44
TPSA230.12 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.23
LogP ≤ 5-3.44
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;bis(2,3-dihydroxypropanoic acid)?
The IUPAC name of (Z)-but-2-enedioic acid;bis(2,3-dihydroxypropanoic acid) (CID 162142261) is (Z)-but-2-enedioic acid;bis(2,3-dihydroxypropanoic acid).
What is the SMILES notation for (Z)-but-2-enedioic acid;bis(2,3-dihydroxypropanoic acid)?
The canonical SMILES for (Z)-but-2-enedioic acid;bis(2,3-dihydroxypropanoic acid) is O=C(O)/C=C\C(=O)O.O=C(O)C(O)CO.O=C(O)C(O)CO.
What is the InChIKey of (Z)-but-2-enedioic acid;bis(2,3-dihydroxypropanoic acid)?
The InChIKey is MUJMEHVZHRSDDO-UAIGNFCESA-N. The full InChI is InChI=1S/C4H4O4.2C3H6O4/c5-3(6)1-2-4(7)8;2*4-1-2(5)3(6)7/h1-2H,(H,5,6)(H,7,8);2*2,4-5H,1H2,(H,6,7)/b2-1-;;.
What are the key properties of (Z)-but-2-enedioic acid;bis(2,3-dihydroxypropanoic acid)?
(Z)-but-2-enedioic acid;bis(2,3-dihydroxypropanoic acid) has a molecular weight of 328.23 g/mol, XLogP of -3.44, 6 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;bis(2,3-dihydroxypropanoic acid) is sourced from PubChem (CID 162142261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).