2-[[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-2-methyloxan-3-yl]methoxymethyl]-6-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol

C18H34O10 — CID 20671286

IUPAC2-[[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-2-methyloxan-3-yl]methoxymethyl]-6-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
SMILESCOC1OC(C)(CO)C(COCC2OC(C)(CO)C(C)C(O)C2O)C(O)C1O
InChIInChI=1S/C18H34O10/c1-9-12(21)14(23)11(27-17(9,2)7-19)6-26-5-10-13(22)15(24)16(25-4)28-18(10,3)8-20/h9-16,19-24H,5-8H2,1-4H3
InChIKeyVEIMFQOGXJFNKL-UHFFFAOYSA-N
MW410.46 g/mol
LogP-2.40
Rot. Bonds7

About 2-[[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-2-methyloxan-3-yl]methoxymethyl]-6-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol

2-[[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-2-methyloxan-3-yl]methoxymethyl]-6-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol (PubChem CID 20671286) has the molecular formula C18H34O10 and a molecular weight of 410.46 g/mol. Its IUPAC name is 2-[[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-2-methyloxan-3-yl]methoxymethyl]-6-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol.

Molecular Properties

Compound Name2-[[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-2-methyloxan-3-yl]methoxymethyl]-6-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
PubChem CID20671286
Molecular FormulaC18H34O10
Molecular Weight410.46 g/mol
Exact Mass410.22
IUPAC Name2-[[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-2-methyloxan-3-yl]methoxymethyl]-6-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
SMILESCOC1OC(C)(CO)C(COCC2OC(C)(CO)C(C)C(O)C2O)C(O)C1O
InChIInChI=1S/C18H34O10/c1-9-12(21)14(23)11(27-17(9,2)7-19)6-26-5-10-13(22)15(24)16(25-4)28-18(10,3)8-20/h9-16,19-24H,5-8H2,1-4H3
InChIKeyVEIMFQOGXJFNKL-UHFFFAOYSA-N
XLogP-2.40
TPSA158.30 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.46
LogP ≤ 5-2.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-2-methyloxan-3-yl]methoxymethyl]-6-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol?
The IUPAC name of 2-[[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-2-methyloxan-3-yl]methoxymethyl]-6-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol (CID 20671286) is 2-[[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-2-methyloxan-3-yl]methoxymethyl]-6-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol.
What is the SMILES notation for 2-[[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-2-methyloxan-3-yl]methoxymethyl]-6-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol?
The canonical SMILES for 2-[[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-2-methyloxan-3-yl]methoxymethyl]-6-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol is COC1OC(C)(CO)C(COCC2OC(C)(CO)C(C)C(O)C2O)C(O)C1O.
What is the InChIKey of 2-[[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-2-methyloxan-3-yl]methoxymethyl]-6-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol?
The InChIKey is VEIMFQOGXJFNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O10/c1-9-12(21)14(23)11(27-17(9,2)7-19)6-26-5-10-13(22)15(24)16(25-4)28-18(10,3)8-20/h9-16,19-24H,5-8H2,1-4H3.
What are the key properties of 2-[[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-2-methyloxan-3-yl]methoxymethyl]-6-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol?
2-[[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-2-methyloxan-3-yl]methoxymethyl]-6-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol has a molecular weight of 410.46 g/mol, XLogP of -2.40, 7 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-2-methyloxan-3-yl]methoxymethyl]-6-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol is sourced from PubChem (CID 20671286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).