(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol

C10H20O6 — CID 12903171

IUPAC(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol
SMILESCOC[C@H]1OC(O)[C@H](OC)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C10H20O6/c1-12-5-6-7(13-2)8(14-3)9(15-4)10(11)16-6/h6-11H,5H2,1-4H3/t6-,7-,8+,9-,10?/m1/s1
InChIKeyAQWPITGEZPPXTJ-ZKZCYXTQSA-N
MW236.26 g/mol
LogP-0.61
Rot. Bonds5

About (3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol

(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol (PubChem CID 12903171) has the molecular formula C10H20O6 and a molecular weight of 236.26 g/mol. Its IUPAC name is (3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol.

Molecular Properties

Compound Name(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol
PubChem CID12903171
Molecular FormulaC10H20O6
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol
SMILESCOC[C@H]1OC(O)[C@H](OC)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C10H20O6/c1-12-5-6-7(13-2)8(14-3)9(15-4)10(11)16-6/h6-11H,5H2,1-4H3/t6-,7-,8+,9-,10?/m1/s1
InChIKeyAQWPITGEZPPXTJ-ZKZCYXTQSA-N
XLogP-0.61
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol?
The IUPAC name of (3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol (CID 12903171) is (3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol.
What is the SMILES notation for (3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol?
The canonical SMILES for (3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol is COC[C@H]1OC(O)[C@H](OC)[C@@H](OC)[C@@H]1OC.
What is the InChIKey of (3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol?
The InChIKey is AQWPITGEZPPXTJ-ZKZCYXTQSA-N. The full InChI is InChI=1S/C10H20O6/c1-12-5-6-7(13-2)8(14-3)9(15-4)10(11)16-6/h6-11H,5H2,1-4H3/t6-,7-,8+,9-,10?/m1/s1.
What are the key properties of (3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol?
(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol has a molecular weight of 236.26 g/mol, XLogP of -0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol is sourced from PubChem (CID 12903171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).