formaldehyde;4-hydroxy-3,6-dimethoxy-5-methyloxan-2-olate

C9H17O6- — CID 91075368

IUPACformaldehyde;4-hydroxy-3,6-dimethoxy-5-methyloxan-2-olate
SMILESC=O.COC1OC([O-])C(OC)C(O)C1C
InChIInChI=1S/C8H15O5.CH2O/c1-4-5(9)6(11-2)7(10)13-8(4)12-3;1-2/h4-9H,1-3H3;1H2/q-1;
InChIKeyCTUBEJDCTYRRMZ-UHFFFAOYSA-N
MW221.23 g/mol
LogP-1.50
Rot. Bonds2

About formaldehyde;4-hydroxy-3,6-dimethoxy-5-methyloxan-2-olate

formaldehyde;4-hydroxy-3,6-dimethoxy-5-methyloxan-2-olate (PubChem CID 91075368) has the molecular formula C9H17O6- and a molecular weight of 221.23 g/mol. Its IUPAC name is formaldehyde;4-hydroxy-3,6-dimethoxy-5-methyloxan-2-olate.

Molecular Properties

Compound Nameformaldehyde;4-hydroxy-3,6-dimethoxy-5-methyloxan-2-olate
PubChem CID91075368
Molecular FormulaC9H17O6-
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC Nameformaldehyde;4-hydroxy-3,6-dimethoxy-5-methyloxan-2-olate
SMILESC=O.COC1OC([O-])C(OC)C(O)C1C
InChIInChI=1S/C8H15O5.CH2O/c1-4-5(9)6(11-2)7(10)13-8(4)12-3;1-2/h4-9H,1-3H3;1H2/q-1;
InChIKeyCTUBEJDCTYRRMZ-UHFFFAOYSA-N
XLogP-1.50
TPSA88.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 5-1.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S,4S,5S,6R)-2-methoxy-3,5,6-trimethyloxan-4-ol
CID 21122764
(2S,3R,4R,5S,6S)-6-methoxy-2,5-dimethyloxane-3,4-diol
CID 130891159
ethane;6-methoxy-5-methyl-2-propyloxane-3,4-diol
CID 168912950
(3S,4R,6R)-3-[(2R,4R,5S)-6-carboxy-3,4-dihydroxy-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-methoxy-5-methyloxane-2-carboxylic acid;hydrate
CID 158209662
(4-hydroxy-6-methoxy-3,5-dimethyloxan-2-yl)methyl sulfate
CID 20705033
2,3-dimethoxy-6-(methoxymethyl)-5-methyloxan-4-ol
CID 76704011
(3-acetyloxy-4-hydroxy-6-methoxy-5-methyloxan-2-yl)methyl acetate
CID 59701764
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-methoxy-5-methyloxane-3,4-diol
CID 88976224
(2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-methyloxan-3-ol
CID 13122553
(2R,3R,4R,5R,6R)-2-[3-[(2R,3R,4R,5R,6R)-4-hydroxy-6-methoxy-3,5-dimethyloxan-2-yl]propyl]-6-methoxy-3,5-dimethyloxan-4-ol
CID 24763935
disodium;(2R,3S,4S,5R,6R)-4-hydroxy-3,6-dimethoxy-5-sulfonatooxyoxane-2-carboxylate
CID 102278158
(2S,3R,4R,5S)-2,5-dimethoxyoxolane-3,4-diol
CID 99945935

Frequently Asked Questions

What is the IUPAC name of formaldehyde;4-hydroxy-3,6-dimethoxy-5-methyloxan-2-olate?
The IUPAC name of formaldehyde;4-hydroxy-3,6-dimethoxy-5-methyloxan-2-olate (CID 91075368) is formaldehyde;4-hydroxy-3,6-dimethoxy-5-methyloxan-2-olate.
What is the SMILES notation for formaldehyde;4-hydroxy-3,6-dimethoxy-5-methyloxan-2-olate?
The canonical SMILES for formaldehyde;4-hydroxy-3,6-dimethoxy-5-methyloxan-2-olate is C=O.COC1OC([O-])C(OC)C(O)C1C.
What is the InChIKey of formaldehyde;4-hydroxy-3,6-dimethoxy-5-methyloxan-2-olate?
The InChIKey is CTUBEJDCTYRRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O5.CH2O/c1-4-5(9)6(11-2)7(10)13-8(4)12-3;1-2/h4-9H,1-3H3;1H2/q-1;.
What are the key properties of formaldehyde;4-hydroxy-3,6-dimethoxy-5-methyloxan-2-olate?
formaldehyde;4-hydroxy-3,6-dimethoxy-5-methyloxan-2-olate has a molecular weight of 221.23 g/mol, XLogP of -1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;4-hydroxy-3,6-dimethoxy-5-methyloxan-2-olate is sourced from PubChem (CID 91075368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).