4,5-dihydroxy-3,6-bis(methoxymethyl)-N-methyloxane-2-carboxamide

C11H21NO6 — CID 58766215

IUPAC4,5-dihydroxy-3,6-bis(methoxymethyl)-N-methyloxane-2-carboxamide
SMILESCNC(=O)C1OC(COC)C(O)C(O)C1COC
InChIInChI=1S/C11H21NO6/c1-12-11(15)10-6(4-16-2)8(13)9(14)7(18-10)5-17-3/h6-10,13-14H,4-5H2,1-3H3,(H,12,15)
InChIKeyNWYIALUEGMDGCO-UHFFFAOYSA-N
MW263.29 g/mol
LogP-1.87
Rot. Bonds5

About 4,5-dihydroxy-3,6-bis(methoxymethyl)-N-methyloxane-2-carboxamide

4,5-dihydroxy-3,6-bis(methoxymethyl)-N-methyloxane-2-carboxamide (PubChem CID 58766215) has the molecular formula C11H21NO6 and a molecular weight of 263.29 g/mol. Its IUPAC name is 4,5-dihydroxy-3,6-bis(methoxymethyl)-N-methyloxane-2-carboxamide.

Molecular Properties

Compound Name4,5-dihydroxy-3,6-bis(methoxymethyl)-N-methyloxane-2-carboxamide
PubChem CID58766215
Molecular FormulaC11H21NO6
Molecular Weight263.29 g/mol
Exact Mass263.14
IUPAC Name4,5-dihydroxy-3,6-bis(methoxymethyl)-N-methyloxane-2-carboxamide
SMILESCNC(=O)C1OC(COC)C(O)C(O)C1COC
InChIInChI=1S/C11H21NO6/c1-12-11(15)10-6(4-16-2)8(13)9(14)7(18-10)5-17-3/h6-10,13-14H,4-5H2,1-3H3,(H,12,15)
InChIKeyNWYIALUEGMDGCO-UHFFFAOYSA-N
XLogP-1.87
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 5-1.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-3,6-bis(methoxymethyl)-N-methyloxane-2-carboxamide?
The IUPAC name of 4,5-dihydroxy-3,6-bis(methoxymethyl)-N-methyloxane-2-carboxamide (CID 58766215) is 4,5-dihydroxy-3,6-bis(methoxymethyl)-N-methyloxane-2-carboxamide.
What is the SMILES notation for 4,5-dihydroxy-3,6-bis(methoxymethyl)-N-methyloxane-2-carboxamide?
The canonical SMILES for 4,5-dihydroxy-3,6-bis(methoxymethyl)-N-methyloxane-2-carboxamide is CNC(=O)C1OC(COC)C(O)C(O)C1COC.
What is the InChIKey of 4,5-dihydroxy-3,6-bis(methoxymethyl)-N-methyloxane-2-carboxamide?
The InChIKey is NWYIALUEGMDGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO6/c1-12-11(15)10-6(4-16-2)8(13)9(14)7(18-10)5-17-3/h6-10,13-14H,4-5H2,1-3H3,(H,12,15).
What are the key properties of 4,5-dihydroxy-3,6-bis(methoxymethyl)-N-methyloxane-2-carboxamide?
4,5-dihydroxy-3,6-bis(methoxymethyl)-N-methyloxane-2-carboxamide has a molecular weight of 263.29 g/mol, XLogP of -1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-3,6-bis(methoxymethyl)-N-methyloxane-2-carboxamide is sourced from PubChem (CID 58766215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).