2-(hydroxymethyl)-6-(3,3,5-trimethyloxan-4-yl)oxyoxane-3,4,5-triol

C14H26O7 — CID 91451783

IUPAC2-(hydroxymethyl)-6-(3,3,5-trimethyloxan-4-yl)oxyoxane-3,4,5-triol
SMILESCC1COCC(C)(C)C1OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C14H26O7/c1-7-5-19-6-14(2,3)12(7)21-13-11(18)10(17)9(16)8(4-15)20-13/h7-13,15-18H,4-6H2,1-3H3
InChIKeyITIPURJSQKPVES-UHFFFAOYSA-N
MW306.36 g/mol
LogP-1.14
Rot. Bonds3

About 2-(hydroxymethyl)-6-(3,3,5-trimethyloxan-4-yl)oxyoxane-3,4,5-triol

2-(hydroxymethyl)-6-(3,3,5-trimethyloxan-4-yl)oxyoxane-3,4,5-triol (PubChem CID 91451783) has the molecular formula C14H26O7 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-(3,3,5-trimethyloxan-4-yl)oxyoxane-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-(3,3,5-trimethyloxan-4-yl)oxyoxane-3,4,5-triol
PubChem CID91451783
Molecular FormulaC14H26O7
Molecular Weight306.36 g/mol
Exact Mass306.17
IUPAC Name2-(hydroxymethyl)-6-(3,3,5-trimethyloxan-4-yl)oxyoxane-3,4,5-triol
SMILESCC1COCC(C)(C)C1OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C14H26O7/c1-7-5-19-6-14(2,3)12(7)21-13-11(18)10(17)9(16)8(4-15)20-13/h7-13,15-18H,4-6H2,1-3H3
InChIKeyITIPURJSQKPVES-UHFFFAOYSA-N
XLogP-1.14
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-(hydroxymethyl)-6-(3,3,5-trimethyloxan-4-yl)oxyoxane-3,4,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4R,5R)-2-[(2S,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 118428901
(2S,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 162947044
(3R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 71034150
(2S,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 51579139
(2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 70386984
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 18652485
(2R,3S,6R)-2-(hydroxymethyl)-6-[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 118137522
(1S,2R,4R,5S)-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol
CID 162937469
6-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol
CID 54385408
(2S,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol;dihydrate
CID 53393673
(2R,3S,4S,5S,6S)-2-methyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 123922812
2-[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 122533642

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-(3,3,5-trimethyloxan-4-yl)oxyoxane-3,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)-6-(3,3,5-trimethyloxan-4-yl)oxyoxane-3,4,5-triol (CID 91451783) is 2-(hydroxymethyl)-6-(3,3,5-trimethyloxan-4-yl)oxyoxane-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-6-(3,3,5-trimethyloxan-4-yl)oxyoxane-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-6-(3,3,5-trimethyloxan-4-yl)oxyoxane-3,4,5-triol is CC1COCC(C)(C)C1OC1OC(CO)C(O)C(O)C1O.
What is the InChIKey of 2-(hydroxymethyl)-6-(3,3,5-trimethyloxan-4-yl)oxyoxane-3,4,5-triol?
The InChIKey is ITIPURJSQKPVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O7/c1-7-5-19-6-14(2,3)12(7)21-13-11(18)10(17)9(16)8(4-15)20-13/h7-13,15-18H,4-6H2,1-3H3.
What are the key properties of 2-(hydroxymethyl)-6-(3,3,5-trimethyloxan-4-yl)oxyoxane-3,4,5-triol?
2-(hydroxymethyl)-6-(3,3,5-trimethyloxan-4-yl)oxyoxane-3,4,5-triol has a molecular weight of 306.36 g/mol, XLogP of -1.14, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-(3,3,5-trimethyloxan-4-yl)oxyoxane-3,4,5-triol is sourced from PubChem (CID 91451783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).