[(2S,3S,4R,5R,6R)-3,4,5-trimethoxy-6-(oxolan-2-yloxymethyl)oxan-2-yl]methanol

C14H26O7 — CID 139800087

IUPAC[(2S,3S,4R,5R,6R)-3,4,5-trimethoxy-6-(oxolan-2-yloxymethyl)oxan-2-yl]methanol
SMILESCO[C@@H]1[C@@H](OC)[C@H](CO)O[C@H](COC2CCCO2)[C@H]1OC
InChIInChI=1S/C14H26O7/c1-16-12-9(7-15)21-10(13(17-2)14(12)18-3)8-20-11-5-4-6-19-11/h9-15H,4-8H2,1-3H3/t9-,10+,11?,12-,13+,14+/m0/s1
InChIKeyJXKSSINQBASXEE-DEIZTLOISA-N
MW306.36 g/mol
LogP-0.06
Rot. Bonds7

About [(2S,3S,4R,5R,6R)-3,4,5-trimethoxy-6-(oxolan-2-yloxymethyl)oxan-2-yl]methanol

[(2S,3S,4R,5R,6R)-3,4,5-trimethoxy-6-(oxolan-2-yloxymethyl)oxan-2-yl]methanol (PubChem CID 139800087) has the molecular formula C14H26O7 and a molecular weight of 306.36 g/mol. Its IUPAC name is [(2S,3S,4R,5R,6R)-3,4,5-trimethoxy-6-(oxolan-2-yloxymethyl)oxan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S,4R,5R,6R)-3,4,5-trimethoxy-6-(oxolan-2-yloxymethyl)oxan-2-yl]methanol
PubChem CID139800087
Molecular FormulaC14H26O7
Molecular Weight306.36 g/mol
Exact Mass306.17
IUPAC Name[(2S,3S,4R,5R,6R)-3,4,5-trimethoxy-6-(oxolan-2-yloxymethyl)oxan-2-yl]methanol
SMILESCO[C@@H]1[C@@H](OC)[C@H](CO)O[C@H](COC2CCCO2)[C@H]1OC
InChIInChI=1S/C14H26O7/c1-16-12-9(7-15)21-10(13(17-2)14(12)18-3)8-20-11-5-4-6-19-11/h9-15H,4-8H2,1-3H3/t9-,10+,11?,12-,13+,14+/m0/s1
InChIKeyJXKSSINQBASXEE-DEIZTLOISA-N
XLogP-0.06
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(2S,3S,4R,5R,6R)-3,4,5-trimethoxy-6-(oxolan-2-yloxymethyl)oxan-2-yl]methanol with MolForge

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Related Compounds

[(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]methanol
CID 102375568
2-ethoxyoxolane;oxolan-2-ylmethanol
CID 160542333
(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-ol
CID 131205336
(2R,3R,4S,5S)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-ol
CID 130904111
[(2R,3S)-5-methoxy-2-(oxan-2-yloxymethyl)oxolan-3-yl] methanesulfonate
CID 54078925
1-(oxolan-2-yloxy)propan-2-ol
CID 172822303
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
[(2R,3R,4S,5R,6R)-6-[(2S)-oxolan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 102364580
(2S)-2-[[(2R)-oxiran-2-yl]methoxy]oxane
CID 92982921
2-[(5-bromooxolan-2-yl)methoxy]oxane
CID 11277076
[(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-prop-2-enoxyoxan-2-yl]methanol
CID 11010775
(2R,3S,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolane-2,3-diol
CID 130976876

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4R,5R,6R)-3,4,5-trimethoxy-6-(oxolan-2-yloxymethyl)oxan-2-yl]methanol?
The IUPAC name of [(2S,3S,4R,5R,6R)-3,4,5-trimethoxy-6-(oxolan-2-yloxymethyl)oxan-2-yl]methanol (CID 139800087) is [(2S,3S,4R,5R,6R)-3,4,5-trimethoxy-6-(oxolan-2-yloxymethyl)oxan-2-yl]methanol.
What is the SMILES notation for [(2S,3S,4R,5R,6R)-3,4,5-trimethoxy-6-(oxolan-2-yloxymethyl)oxan-2-yl]methanol?
The canonical SMILES for [(2S,3S,4R,5R,6R)-3,4,5-trimethoxy-6-(oxolan-2-yloxymethyl)oxan-2-yl]methanol is CO[C@@H]1[C@@H](OC)[C@H](CO)O[C@H](COC2CCCO2)[C@H]1OC.
What is the InChIKey of [(2S,3S,4R,5R,6R)-3,4,5-trimethoxy-6-(oxolan-2-yloxymethyl)oxan-2-yl]methanol?
The InChIKey is JXKSSINQBASXEE-DEIZTLOISA-N. The full InChI is InChI=1S/C14H26O7/c1-16-12-9(7-15)21-10(13(17-2)14(12)18-3)8-20-11-5-4-6-19-11/h9-15H,4-8H2,1-3H3/t9-,10+,11?,12-,13+,14+/m0/s1.
What are the key properties of [(2S,3S,4R,5R,6R)-3,4,5-trimethoxy-6-(oxolan-2-yloxymethyl)oxan-2-yl]methanol?
[(2S,3S,4R,5R,6R)-3,4,5-trimethoxy-6-(oxolan-2-yloxymethyl)oxan-2-yl]methanol has a molecular weight of 306.36 g/mol, XLogP of -0.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4R,5R,6R)-3,4,5-trimethoxy-6-(oxolan-2-yloxymethyl)oxan-2-yl]methanol is sourced from PubChem (CID 139800087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).