(213C)2H-furan-2,3,3,4-tetrol

C4H6O5 — CID 90234908

IUPAC(213C)2H-furan-2,3,3,4-tetrol
SMILESOC1=CO[13CH](O)C1(O)O
InChIInChI=1S/C4H6O5/c5-2-1-9-3(6)4(2,7)8/h1,3,5-8H/i3+1
InChIKeyLWFLQFQVCOXIRR-LBPDFUHNSA-N
MW135.08 g/mol
LogP-1.58
Rot. Bonds

About (213C)2H-furan-2,3,3,4-tetrol

(213C)2H-furan-2,3,3,4-tetrol (PubChem CID 90234908) has the molecular formula C4H6O5 and a molecular weight of 135.08 g/mol. Its IUPAC name is (213C)2H-furan-2,3,3,4-tetrol.

Molecular Properties

Compound Name(213C)2H-furan-2,3,3,4-tetrol
PubChem CID90234908
Molecular FormulaC4H6O5
Molecular Weight135.08 g/mol
Exact Mass135.02
IUPAC Name(213C)2H-furan-2,3,3,4-tetrol
SMILESOC1=CO[13CH](O)C1(O)O
InChIInChI=1S/C4H6O5/c5-2-1-9-3(6)4(2,7)8/h1,3,5-8H/i3+1
InChIKeyLWFLQFQVCOXIRR-LBPDFUHNSA-N
XLogP-1.58
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.08
LogP ≤ 5-1.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (213C)2H-furan-2,3,3,4-tetrol?
The IUPAC name of (213C)2H-furan-2,3,3,4-tetrol (CID 90234908) is (213C)2H-furan-2,3,3,4-tetrol.
What is the SMILES notation for (213C)2H-furan-2,3,3,4-tetrol?
The canonical SMILES for (213C)2H-furan-2,3,3,4-tetrol is OC1=CO[13CH](O)C1(O)O.
What is the InChIKey of (213C)2H-furan-2,3,3,4-tetrol?
The InChIKey is LWFLQFQVCOXIRR-LBPDFUHNSA-N. The full InChI is InChI=1S/C4H6O5/c5-2-1-9-3(6)4(2,7)8/h1,3,5-8H/i3+1.
What are the key properties of (213C)2H-furan-2,3,3,4-tetrol?
(213C)2H-furan-2,3,3,4-tetrol has a molecular weight of 135.08 g/mol, XLogP of -1.58, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (213C)2H-furan-2,3,3,4-tetrol is sourced from PubChem (CID 90234908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).