carbonic acid;3,4-dihydroxyoxolane-2,5-dione

C5H6O8 — CID 158265836

IUPACcarbonic acid;3,4-dihydroxyoxolane-2,5-dione
SMILESO=C(O)O.O=C1OC(=O)C(O)C1O
InChIInChI=1S/C4H4O5.CH2O3/c5-1-2(6)4(8)9-3(1)7;2-1(3)4/h1-2,5-6H;(H2,2,3,4)
InChIKeyGIKVATPYEOYTLR-UHFFFAOYSA-N
MW194.09 g/mol
LogP-1.99
Rot. Bonds

About carbonic acid;3,4-dihydroxyoxolane-2,5-dione

carbonic acid;3,4-dihydroxyoxolane-2,5-dione (PubChem CID 158265836) has the molecular formula C5H6O8 and a molecular weight of 194.09 g/mol. Its IUPAC name is carbonic acid;3,4-dihydroxyoxolane-2,5-dione.

Molecular Properties

Compound Namecarbonic acid;3,4-dihydroxyoxolane-2,5-dione
PubChem CID158265836
Molecular FormulaC5H6O8
Molecular Weight194.09 g/mol
Exact Mass194.01
IUPAC Namecarbonic acid;3,4-dihydroxyoxolane-2,5-dione
SMILESO=C(O)O.O=C1OC(=O)C(O)C1O
InChIInChI=1S/C4H4O5.CH2O3/c5-1-2(6)4(8)9-3(1)7;2-1(3)4/h1-2,5-6H;(H2,2,3,4)
InChIKeyGIKVATPYEOYTLR-UHFFFAOYSA-N
XLogP-1.99
TPSA141.36 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.09
LogP ≤ 5-1.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

[(3S,4R)-4-hydroxy-2,5-dioxooxolan-3-yl] benzoate
CID 129396680
(2Z)-6,7-dihydroxy-5,8-dioxo-6,7-dihydro-1,4-dioxocine-2-carboxamide
CID 167451157
(3R,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3,4-dihydropyran-2-one
CID 46173037
(3R,5S)-3,5-dihydroxy-1,4-oxathiane-2,6-dione
CID 94865791
(5R,6S)-5,6-dihydroxy-1,3,2λ2-dioxastannepane-4,7-dione
CID 124629764
(3R,5R)-3,5-dihydroxy-1,4-oxathiane-2,6-dione
CID 94865792
3-hydroxy-4-(2-phenylethenyl)oxolane-2,5-dione
CID 137333511
3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione;acetic acid
CID 144775444
carbonic acid;cyclobutane;1,3-dioxetane-2,4-dione
CID 23196678
3,4,7-trihydroxy-10-methyl-3,4-dihydro-1,6-benzodioxocine-2,5-dione
CID 142698225
8,10-dioxo-9-oxatricyclo[5.3.1.02,6]undecane-3,5-dicarboxylic acid
CID 87483610
3-chloro-3,4,5,6-tetrahydroxyoxepane-2,7-dione
CID 142764315

Frequently Asked Questions

What is the IUPAC name of carbonic acid;3,4-dihydroxyoxolane-2,5-dione?
The IUPAC name of carbonic acid;3,4-dihydroxyoxolane-2,5-dione (CID 158265836) is carbonic acid;3,4-dihydroxyoxolane-2,5-dione.
What is the SMILES notation for carbonic acid;3,4-dihydroxyoxolane-2,5-dione?
The canonical SMILES for carbonic acid;3,4-dihydroxyoxolane-2,5-dione is O=C(O)O.O=C1OC(=O)C(O)C1O.
What is the InChIKey of carbonic acid;3,4-dihydroxyoxolane-2,5-dione?
The InChIKey is GIKVATPYEOYTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O5.CH2O3/c5-1-2(6)4(8)9-3(1)7;2-1(3)4/h1-2,5-6H;(H2,2,3,4).
What are the key properties of carbonic acid;3,4-dihydroxyoxolane-2,5-dione?
carbonic acid;3,4-dihydroxyoxolane-2,5-dione has a molecular weight of 194.09 g/mol, XLogP of -1.99, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;3,4-dihydroxyoxolane-2,5-dione is sourced from PubChem (CID 158265836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).