(2S,3R,4R,5S)-3,4,5-trimethoxy-2-(methoxymethyl)oxane

C10H20O5 — CID 6432740

IUPAC(2S,3R,4R,5S)-3,4,5-trimethoxy-2-(methoxymethyl)oxane
SMILESCOC[C@@H]1OC[C@H](OC)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C10H20O5/c1-11-5-8-10(14-4)9(13-3)7(12-2)6-15-8/h7-10H,5-6H2,1-4H3/t7-,8-,9+,10+/m0/s1
InChIKeySQOPNOVHKFZFPJ-AXTSPUMRSA-N
MW220.26 g/mol
LogP0.08
Rot. Bonds5

About (2S,3R,4R,5S)-3,4,5-trimethoxy-2-(methoxymethyl)oxane

(2S,3R,4R,5S)-3,4,5-trimethoxy-2-(methoxymethyl)oxane (PubChem CID 6432740) has the molecular formula C10H20O5 and a molecular weight of 220.26 g/mol. Its IUPAC name is (2S,3R,4R,5S)-3,4,5-trimethoxy-2-(methoxymethyl)oxane.

Molecular Properties

Compound Name(2S,3R,4R,5S)-3,4,5-trimethoxy-2-(methoxymethyl)oxane
PubChem CID6432740
Molecular FormulaC10H20O5
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name(2S,3R,4R,5S)-3,4,5-trimethoxy-2-(methoxymethyl)oxane
SMILESCOC[C@@H]1OC[C@H](OC)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C10H20O5/c1-11-5-8-10(14-4)9(13-3)7(12-2)6-15-8/h7-10H,5-6H2,1-4H3/t7-,8-,9+,10+/m0/s1
InChIKeySQOPNOVHKFZFPJ-AXTSPUMRSA-N
XLogP0.08
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S)-3,4,5-trimethoxy-2-(methoxymethyl)oxane?
The IUPAC name of (2S,3R,4R,5S)-3,4,5-trimethoxy-2-(methoxymethyl)oxane (CID 6432740) is (2S,3R,4R,5S)-3,4,5-trimethoxy-2-(methoxymethyl)oxane.
What is the SMILES notation for (2S,3R,4R,5S)-3,4,5-trimethoxy-2-(methoxymethyl)oxane?
The canonical SMILES for (2S,3R,4R,5S)-3,4,5-trimethoxy-2-(methoxymethyl)oxane is COC[C@@H]1OC[C@H](OC)[C@@H](OC)[C@@H]1OC.
What is the InChIKey of (2S,3R,4R,5S)-3,4,5-trimethoxy-2-(methoxymethyl)oxane?
The InChIKey is SQOPNOVHKFZFPJ-AXTSPUMRSA-N. The full InChI is InChI=1S/C10H20O5/c1-11-5-8-10(14-4)9(13-3)7(12-2)6-15-8/h7-10H,5-6H2,1-4H3/t7-,8-,9+,10+/m0/s1.
What are the key properties of (2S,3R,4R,5S)-3,4,5-trimethoxy-2-(methoxymethyl)oxane?
(2S,3R,4R,5S)-3,4,5-trimethoxy-2-(methoxymethyl)oxane has a molecular weight of 220.26 g/mol, XLogP of 0.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S)-3,4,5-trimethoxy-2-(methoxymethyl)oxane is sourced from PubChem (CID 6432740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).