3-[(2S,3R)-2-(methoxymethyl)-3-[[(2S,3R)-2-(methoxymethyl)-3-[[(2S,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]methyl]oxiran-2-yl]methyl]oxiran-2-yl]propan-1-ol

C18H32O7 — CID 11046603

IUPAC3-[(2S,3R)-2-(methoxymethyl)-3-[[(2S,3R)-2-(methoxymethyl)-3-[[(2S,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]methyl]oxiran-2-yl]methyl]oxiran-2-yl]propan-1-ol
SMILESCOC[C@]1(C[C@H]2O[C@]2(COC)C[C@H]2O[C@@]2(CCCO)COC)O[C@@H]1C
InChIInChI=1S/C18H32O7/c1-13-17(23-13,11-21-3)8-15-18(25-15,12-22-4)9-14-16(24-14,10-20-2)6-5-7-19/h13-15,19H,5-12H2,1-4H3/t13-,14-,15-,16+,17+,18+/m1/s1
InChIKeyCAJXJAAXSVCMMB-ZXLDYLNASA-N
MW360.45 g/mol
LogP0.91
Rot. Bonds13

About 3-[(2S,3R)-2-(methoxymethyl)-3-[[(2S,3R)-2-(methoxymethyl)-3-[[(2S,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]methyl]oxiran-2-yl]methyl]oxiran-2-yl]propan-1-ol

3-[(2S,3R)-2-(methoxymethyl)-3-[[(2S,3R)-2-(methoxymethyl)-3-[[(2S,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]methyl]oxiran-2-yl]methyl]oxiran-2-yl]propan-1-ol (PubChem CID 11046603) has the molecular formula C18H32O7 and a molecular weight of 360.45 g/mol. Its IUPAC name is 3-[(2S,3R)-2-(methoxymethyl)-3-[[(2S,3R)-2-(methoxymethyl)-3-[[(2S,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]methyl]oxiran-2-yl]methyl]oxiran-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(2S,3R)-2-(methoxymethyl)-3-[[(2S,3R)-2-(methoxymethyl)-3-[[(2S,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]methyl]oxiran-2-yl]methyl]oxiran-2-yl]propan-1-ol
PubChem CID11046603
Molecular FormulaC18H32O7
Molecular Weight360.45 g/mol
Exact Mass360.21
IUPAC Name3-[(2S,3R)-2-(methoxymethyl)-3-[[(2S,3R)-2-(methoxymethyl)-3-[[(2S,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]methyl]oxiran-2-yl]methyl]oxiran-2-yl]propan-1-ol
SMILESCOC[C@]1(C[C@H]2O[C@]2(COC)C[C@H]2O[C@@]2(CCCO)COC)O[C@@H]1C
InChIInChI=1S/C18H32O7/c1-13-17(23-13,11-21-3)8-15-18(25-15,12-22-4)9-14-16(24-14,10-20-2)6-5-7-19/h13-15,19H,5-12H2,1-4H3/t13-,14-,15-,16+,17+,18+/m1/s1
InChIKeyCAJXJAAXSVCMMB-ZXLDYLNASA-N
XLogP0.91
TPSA85.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S,3R)-2-(methoxymethyl)-3-[[(2S,3R)-2-(methoxymethyl)-3-[[(2S,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]methyl]oxiran-2-yl]methyl]oxiran-2-yl]propan-1-ol?
The IUPAC name of 3-[(2S,3R)-2-(methoxymethyl)-3-[[(2S,3R)-2-(methoxymethyl)-3-[[(2S,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]methyl]oxiran-2-yl]methyl]oxiran-2-yl]propan-1-ol (CID 11046603) is 3-[(2S,3R)-2-(methoxymethyl)-3-[[(2S,3R)-2-(methoxymethyl)-3-[[(2S,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]methyl]oxiran-2-yl]methyl]oxiran-2-yl]propan-1-ol.
What is the SMILES notation for 3-[(2S,3R)-2-(methoxymethyl)-3-[[(2S,3R)-2-(methoxymethyl)-3-[[(2S,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]methyl]oxiran-2-yl]methyl]oxiran-2-yl]propan-1-ol?
The canonical SMILES for 3-[(2S,3R)-2-(methoxymethyl)-3-[[(2S,3R)-2-(methoxymethyl)-3-[[(2S,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]methyl]oxiran-2-yl]methyl]oxiran-2-yl]propan-1-ol is COC[C@]1(C[C@H]2O[C@]2(COC)C[C@H]2O[C@@]2(CCCO)COC)O[C@@H]1C.
What is the InChIKey of 3-[(2S,3R)-2-(methoxymethyl)-3-[[(2S,3R)-2-(methoxymethyl)-3-[[(2S,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]methyl]oxiran-2-yl]methyl]oxiran-2-yl]propan-1-ol?
The InChIKey is CAJXJAAXSVCMMB-ZXLDYLNASA-N. The full InChI is InChI=1S/C18H32O7/c1-13-17(23-13,11-21-3)8-15-18(25-15,12-22-4)9-14-16(24-14,10-20-2)6-5-7-19/h13-15,19H,5-12H2,1-4H3/t13-,14-,15-,16+,17+,18+/m1/s1.
What are the key properties of 3-[(2S,3R)-2-(methoxymethyl)-3-[[(2S,3R)-2-(methoxymethyl)-3-[[(2S,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]methyl]oxiran-2-yl]methyl]oxiran-2-yl]propan-1-ol?
3-[(2S,3R)-2-(methoxymethyl)-3-[[(2S,3R)-2-(methoxymethyl)-3-[[(2S,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]methyl]oxiran-2-yl]methyl]oxiran-2-yl]propan-1-ol has a molecular weight of 360.45 g/mol, XLogP of 0.91, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3R)-2-(methoxymethyl)-3-[[(2S,3R)-2-(methoxymethyl)-3-[[(2S,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]methyl]oxiran-2-yl]methyl]oxiran-2-yl]propan-1-ol is sourced from PubChem (CID 11046603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).