2-(hydroxymethyl)-6-[5-(hydroxymethyl)-2-propan-2-ylphenoxy]oxane-3,4,5-triol

C16H24O7 — CID 85300726

IUPAC2-(hydroxymethyl)-6-[5-(hydroxymethyl)-2-propan-2-ylphenoxy]oxane-3,4,5-triol
SMILESCC(C)c1ccc(CO)cc1OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C16H24O7/c1-8(2)10-4-3-9(6-17)5-11(10)22-16-15(21)14(20)13(19)12(7-18)23-16/h3-5,8,12-21H,6-7H2,1-2H3
InChIKeyIILRAPUPZQMHJL-UHFFFAOYSA-N
MW328.36 g/mol
LogP-0.52
Rot. Bonds5

About 2-(hydroxymethyl)-6-[5-(hydroxymethyl)-2-propan-2-ylphenoxy]oxane-3,4,5-triol

2-(hydroxymethyl)-6-[5-(hydroxymethyl)-2-propan-2-ylphenoxy]oxane-3,4,5-triol (PubChem CID 85300726) has the molecular formula C16H24O7 and a molecular weight of 328.36 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-[5-(hydroxymethyl)-2-propan-2-ylphenoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-[5-(hydroxymethyl)-2-propan-2-ylphenoxy]oxane-3,4,5-triol
PubChem CID85300726
Molecular FormulaC16H24O7
Molecular Weight328.36 g/mol
Exact Mass328.15
IUPAC Name2-(hydroxymethyl)-6-[5-(hydroxymethyl)-2-propan-2-ylphenoxy]oxane-3,4,5-triol
SMILESCC(C)c1ccc(CO)cc1OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C16H24O7/c1-8(2)10-4-3-9(6-17)5-11(10)22-16-15(21)14(20)13(19)12(7-18)23-16/h3-5,8,12-21H,6-7H2,1-2H3
InChIKeyIILRAPUPZQMHJL-UHFFFAOYSA-N
XLogP-0.52
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 5-0.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-[5-(hydroxymethyl)-2-propan-2-ylphenoxy]oxane-3,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)-6-[5-(hydroxymethyl)-2-propan-2-ylphenoxy]oxane-3,4,5-triol (CID 85300726) is 2-(hydroxymethyl)-6-[5-(hydroxymethyl)-2-propan-2-ylphenoxy]oxane-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-6-[5-(hydroxymethyl)-2-propan-2-ylphenoxy]oxane-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-6-[5-(hydroxymethyl)-2-propan-2-ylphenoxy]oxane-3,4,5-triol is CC(C)c1ccc(CO)cc1OC1OC(CO)C(O)C(O)C1O.
What is the InChIKey of 2-(hydroxymethyl)-6-[5-(hydroxymethyl)-2-propan-2-ylphenoxy]oxane-3,4,5-triol?
The InChIKey is IILRAPUPZQMHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O7/c1-8(2)10-4-3-9(6-17)5-11(10)22-16-15(21)14(20)13(19)12(7-18)23-16/h3-5,8,12-21H,6-7H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-6-[5-(hydroxymethyl)-2-propan-2-ylphenoxy]oxane-3,4,5-triol?
2-(hydroxymethyl)-6-[5-(hydroxymethyl)-2-propan-2-ylphenoxy]oxane-3,4,5-triol has a molecular weight of 328.36 g/mol, XLogP of -0.52, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-[5-(hydroxymethyl)-2-propan-2-ylphenoxy]oxane-3,4,5-triol is sourced from PubChem (CID 85300726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).