1-(furan-2-yl)-2,3,4,5-tetrahydroxypentan-1-one;sulfuric acid

C9H14O10S — CID 174479869

IUPAC1-(furan-2-yl)-2,3,4,5-tetrahydroxypentan-1-one;sulfuric acid
SMILESO=C(c1ccco1)C(O)C(O)C(O)CO.O=S(=O)(O)O
InChIInChI=1S/C9H12O6.H2O4S/c10-4-5(11)7(12)9(14)8(13)6-2-1-3-15-6;1-5(2,3)4/h1-3,5,7,9-12,14H,4H2;(H2,1,2,3,4)
InChIKeyFOTNTAMNKRITBQ-UHFFFAOYSA-N
MW314.27 g/mol
LogP-2.12
Rot. Bonds5

About 1-(furan-2-yl)-2,3,4,5-tetrahydroxypentan-1-one;sulfuric acid

1-(furan-2-yl)-2,3,4,5-tetrahydroxypentan-1-one;sulfuric acid (PubChem CID 174479869) has the molecular formula C9H14O10S and a molecular weight of 314.27 g/mol. Its IUPAC name is 1-(furan-2-yl)-2,3,4,5-tetrahydroxypentan-1-one;sulfuric acid.

Molecular Properties

Compound Name1-(furan-2-yl)-2,3,4,5-tetrahydroxypentan-1-one;sulfuric acid
PubChem CID174479869
Molecular FormulaC9H14O10S
Molecular Weight314.27 g/mol
Exact Mass314.03
IUPAC Name1-(furan-2-yl)-2,3,4,5-tetrahydroxypentan-1-one;sulfuric acid
SMILESO=C(c1ccco1)C(O)C(O)C(O)CO.O=S(=O)(O)O
InChIInChI=1S/C9H12O6.H2O4S/c10-4-5(11)7(12)9(14)8(13)6-2-1-3-15-6;1-5(2,3)4/h1-3,5,7,9-12,14H,4H2;(H2,1,2,3,4)
InChIKeyFOTNTAMNKRITBQ-UHFFFAOYSA-N
XLogP-2.12
TPSA185.73 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.27
LogP ≤ 5-2.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4R,5R)-1-(furan-2-yl)-2,3,4,5,6-pentahydroxyhexan-1-one
CID 175779096
1,4-bis(furan-2-yl)-2,3-dihydroxybutane-1,4-dione
CID 121014452
1,3-bis(furan-2-yl)-2-methylpropane-1,3-dione
CID 15262340
2-ethyl-1-(furan-2-yl)butan-1-one
CID 14709528
3-(furan-2-yl)-2-hydroxy-3-oxopropanal
CID 174854524
2,3,4,5,6-pentahydroxyhexanamide;sulfuric acid
CID 174474944
1-(furan-2-yl)-2-(hydroxymethyl)hexan-1-one
CID 45101558
(2R,3S,4S,5R)-1-benzylsulfonyl-2,3,4,5,6-pentahydroxyhexan-1-one
CID 141075119
(2R,3R,4R)-2,3,4,5-tetrahydroxy-1-pyridin-2-ylpentan-1-one
CID 23579935
2-bromo-1-(furan-2-yl)butan-1-one
CID 45081165
3,4,5,6-tetrahydroxy-2-oxohexanoic acid
CID 50
(3R,4S,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid
CID 10198044

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2,3,4,5-tetrahydroxypentan-1-one;sulfuric acid?
The IUPAC name of 1-(furan-2-yl)-2,3,4,5-tetrahydroxypentan-1-one;sulfuric acid (CID 174479869) is 1-(furan-2-yl)-2,3,4,5-tetrahydroxypentan-1-one;sulfuric acid.
What is the SMILES notation for 1-(furan-2-yl)-2,3,4,5-tetrahydroxypentan-1-one;sulfuric acid?
The canonical SMILES for 1-(furan-2-yl)-2,3,4,5-tetrahydroxypentan-1-one;sulfuric acid is O=C(c1ccco1)C(O)C(O)C(O)CO.O=S(=O)(O)O.
What is the InChIKey of 1-(furan-2-yl)-2,3,4,5-tetrahydroxypentan-1-one;sulfuric acid?
The InChIKey is FOTNTAMNKRITBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O6.H2O4S/c10-4-5(11)7(12)9(14)8(13)6-2-1-3-15-6;1-5(2,3)4/h1-3,5,7,9-12,14H,4H2;(H2,1,2,3,4).
What are the key properties of 1-(furan-2-yl)-2,3,4,5-tetrahydroxypentan-1-one;sulfuric acid?
1-(furan-2-yl)-2,3,4,5-tetrahydroxypentan-1-one;sulfuric acid has a molecular weight of 314.27 g/mol, XLogP of -2.12, 5 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2,3,4,5-tetrahydroxypentan-1-one;sulfuric acid is sourced from PubChem (CID 174479869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).