(2Z)-2-(hydroxymethylidene)-5-methoxyoxolane-3,4-diol

C6H10O5 — CID 66828696

IUPAC(2Z)-2-(hydroxymethylidene)-5-methoxyoxolane-3,4-diol
SMILESCOC1O/C(=C\O)C(O)C1O
InChIInChI=1S/C6H10O5/c1-10-6-5(9)4(8)3(2-7)11-6/h2,4-9H,1H3/b3-2-
InChIKeyDTGKZOHVALSHOL-IHWYPQMZSA-N
MW162.14 g/mol
LogP-0.89
Rot. Bonds1

About (2Z)-2-(hydroxymethylidene)-5-methoxyoxolane-3,4-diol

(2Z)-2-(hydroxymethylidene)-5-methoxyoxolane-3,4-diol (PubChem CID 66828696) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is (2Z)-2-(hydroxymethylidene)-5-methoxyoxolane-3,4-diol.

Molecular Properties

Compound Name(2Z)-2-(hydroxymethylidene)-5-methoxyoxolane-3,4-diol
PubChem CID66828696
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name(2Z)-2-(hydroxymethylidene)-5-methoxyoxolane-3,4-diol
SMILESCOC1O/C(=C\O)C(O)C1O
InChIInChI=1S/C6H10O5/c1-10-6-5(9)4(8)3(2-7)11-6/h2,4-9H,1H3/b3-2-
InChIKeyDTGKZOHVALSHOL-IHWYPQMZSA-N
XLogP-0.89
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(hydroxymethylidene)-5-methoxyoxolane-3,4-diol?
The IUPAC name of (2Z)-2-(hydroxymethylidene)-5-methoxyoxolane-3,4-diol (CID 66828696) is (2Z)-2-(hydroxymethylidene)-5-methoxyoxolane-3,4-diol.
What is the SMILES notation for (2Z)-2-(hydroxymethylidene)-5-methoxyoxolane-3,4-diol?
The canonical SMILES for (2Z)-2-(hydroxymethylidene)-5-methoxyoxolane-3,4-diol is COC1O/C(=C\O)C(O)C1O.
What is the InChIKey of (2Z)-2-(hydroxymethylidene)-5-methoxyoxolane-3,4-diol?
The InChIKey is DTGKZOHVALSHOL-IHWYPQMZSA-N. The full InChI is InChI=1S/C6H10O5/c1-10-6-5(9)4(8)3(2-7)11-6/h2,4-9H,1H3/b3-2-.
What are the key properties of (2Z)-2-(hydroxymethylidene)-5-methoxyoxolane-3,4-diol?
(2Z)-2-(hydroxymethylidene)-5-methoxyoxolane-3,4-diol has a molecular weight of 162.14 g/mol, XLogP of -0.89, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(hydroxymethylidene)-5-methoxyoxolane-3,4-diol is sourced from PubChem (CID 66828696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).