dicarboxy carbonate;2,3-dihydroxypropanal

C6H8O10 — CID 161413391

IUPACdicarboxy carbonate;2,3-dihydroxypropanal
SMILESO=C(O)OC(=O)OC(=O)O.O=CC(O)CO
InChIInChI=1S/C3H2O7.C3H6O3/c4-1(5)9-3(8)10-2(6)7;4-1-3(6)2-5/h(H,4,5)(H,6,7);1,3,5-6H,2H2
InChIKeyVVTORNAVGVJYMU-UHFFFAOYSA-N
MW240.12 g/mol
LogP-0.97
Rot. Bonds2

About dicarboxy carbonate;2,3-dihydroxypropanal

dicarboxy carbonate;2,3-dihydroxypropanal (PubChem CID 161413391) has the molecular formula C6H8O10 and a molecular weight of 240.12 g/mol. Its IUPAC name is dicarboxy carbonate;2,3-dihydroxypropanal.

Molecular Properties

Compound Namedicarboxy carbonate;2,3-dihydroxypropanal
PubChem CID161413391
Molecular FormulaC6H8O10
Molecular Weight240.12 g/mol
Exact Mass240.01
IUPAC Namedicarboxy carbonate;2,3-dihydroxypropanal
SMILESO=C(O)OC(=O)OC(=O)O.O=CC(O)CO
InChIInChI=1S/C3H2O7.C3H6O3/c4-1(5)9-3(8)10-2(6)7;4-1-3(6)2-5/h(H,4,5)(H,6,7);1,3,5-6H,2H2
InChIKeyVVTORNAVGVJYMU-UHFFFAOYSA-N
XLogP-0.97
TPSA167.66 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.12
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

dicarboxy carbonate
CID 18671322
1,5-dihydroxypentan-3-one;2,3-dihydroxypropanal;bis(dioxomolybdenum)
CID 161329413
dicarboxy carbonate;manganese
CID 174775106
azane;dicarboxy carbonate;zinc
CID 174882061
carboxy carboxyoxycarbonyl carbonate;hafnium;tantalum
CID 175230414
magnesium;bis(barium(2+));dicarboxy carbonate;hydride
CID 174349687
disodium;copper;dicarboxy carbonate;hydride
CID 175456993
dicarboxy carbonate;phosphoric acid
CID 160573536
(5S)-5,6-dihydroxyhex-2-enoic acid
CID 56608082
carboxy 3,3-dihydroxypropanoate
CID 174506888
4-hydroxy-2,5-dioxopentanoic acid
CID 163405135
carboxy hydrogen carbonate;ethanol
CID 175149724

Frequently Asked Questions

What is the IUPAC name of dicarboxy carbonate;2,3-dihydroxypropanal?
The IUPAC name of dicarboxy carbonate;2,3-dihydroxypropanal (CID 161413391) is dicarboxy carbonate;2,3-dihydroxypropanal.
What is the SMILES notation for dicarboxy carbonate;2,3-dihydroxypropanal?
The canonical SMILES for dicarboxy carbonate;2,3-dihydroxypropanal is O=C(O)OC(=O)OC(=O)O.O=CC(O)CO.
What is the InChIKey of dicarboxy carbonate;2,3-dihydroxypropanal?
The InChIKey is VVTORNAVGVJYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2O7.C3H6O3/c4-1(5)9-3(8)10-2(6)7;4-1-3(6)2-5/h(H,4,5)(H,6,7);1,3,5-6H,2H2.
What are the key properties of dicarboxy carbonate;2,3-dihydroxypropanal?
dicarboxy carbonate;2,3-dihydroxypropanal has a molecular weight of 240.12 g/mol, XLogP of -0.97, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dicarboxy carbonate;2,3-dihydroxypropanal is sourced from PubChem (CID 161413391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).