2-(2,2-dimethylchromen-7-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol

C16H20O6 — CID 75049000

IUPAC2-(2,2-dimethylchromen-7-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCC1(C)C=Cc2ccc(OC3OC(CO)C(O)C3O)cc2O1
InChIInChI=1S/C16H20O6/c1-16(2)6-5-9-3-4-10(7-11(9)22-16)20-15-14(19)13(18)12(8-17)21-15/h3-7,12-15,17-19H,8H2,1-2H3
InChIKeyZDTLTCGJNPLIIV-UHFFFAOYSA-N
MW308.33 g/mol
LogP0.69
Rot. Bonds3

About 2-(2,2-dimethylchromen-7-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol

2-(2,2-dimethylchromen-7-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 75049000) has the molecular formula C16H20O6 and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-(2,2-dimethylchromen-7-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name2-(2,2-dimethylchromen-7-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID75049000
Molecular FormulaC16H20O6
Molecular Weight308.33 g/mol
Exact Mass308.13
IUPAC Name2-(2,2-dimethylchromen-7-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCC1(C)C=Cc2ccc(OC3OC(CO)C(O)C3O)cc2O1
InChIInChI=1S/C16H20O6/c1-16(2)6-5-9-3-4-10(7-11(9)22-16)20-15-14(19)13(18)12(8-17)21-15/h3-7,12-15,17-19H,8H2,1-2H3
InChIKeyZDTLTCGJNPLIIV-UHFFFAOYSA-N
XLogP0.69
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 2844791
(2R,3R,4R,5R,6S)-2-(3,4-dimethylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 1379856
(2S,3R,4R,5S,6S)-2-(3,4-dimethylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 7071601
2-(hydroxymethyl)-6-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol;methane
CID 159395031
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11542390
(3R,4S,5S,6R)-2-(3,4-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11695369
(3S,4R,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
CID 146852325
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-(4-methylphenoxy)oxane-3,4,5-triol
CID 26917484
(3S,5S,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
CID 90056515
[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 7-methoxy-2,2-dimethylchromene-6-carboxylate
CID 162918658
(3S,6R)-2-(hydroxymethyl)-6-[4-[4-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenoxy]oxane-3,4,5-triol
CID 134423364
(2S,3R,4R,5R)-2-(hydroxymethyl)-5-(4-hydroxyphenoxy)oxolane-3,4-diol
CID 54430133

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylchromen-7-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of 2-(2,2-dimethylchromen-7-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol (CID 75049000) is 2-(2,2-dimethylchromen-7-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for 2-(2,2-dimethylchromen-7-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for 2-(2,2-dimethylchromen-7-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol is CC1(C)C=Cc2ccc(OC3OC(CO)C(O)C3O)cc2O1.
What is the InChIKey of 2-(2,2-dimethylchromen-7-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is ZDTLTCGJNPLIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O6/c1-16(2)6-5-9-3-4-10(7-11(9)22-16)20-15-14(19)13(18)12(8-17)21-15/h3-7,12-15,17-19H,8H2,1-2H3.
What are the key properties of 2-(2,2-dimethylchromen-7-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol?
2-(2,2-dimethylchromen-7-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 308.33 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylchromen-7-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 75049000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).