(3R,4S,6S)-5-[ethyl(methyl)amino]-2-(hydroxymethyl)-6-methoxy-3-methyloxan-4-ol

C11H23NO4 — CID 167334563

IUPAC(3R,4S,6S)-5-[ethyl(methyl)amino]-2-(hydroxymethyl)-6-methoxy-3-methyloxan-4-ol
SMILESCCN(C)C1[C@@H](OC)OC(CO)[C@H](C)[C@@H]1O
InChIInChI=1S/C11H23NO4/c1-5-12(3)9-10(14)7(2)8(6-13)16-11(9)15-4/h7-11,13-14H,5-6H2,1-4H3/t7-,8?,9?,10-,11-/m0/s1
InChIKeyVHVBZSHRVNPXMH-SNBPEGEQSA-N
MW233.31 g/mol
LogP-0.33
Rot. Bonds4

About (3R,4S,6S)-5-[ethyl(methyl)amino]-2-(hydroxymethyl)-6-methoxy-3-methyloxan-4-ol

(3R,4S,6S)-5-[ethyl(methyl)amino]-2-(hydroxymethyl)-6-methoxy-3-methyloxan-4-ol (PubChem CID 167334563) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is (3R,4S,6S)-5-[ethyl(methyl)amino]-2-(hydroxymethyl)-6-methoxy-3-methyloxan-4-ol.

Molecular Properties

Compound Name(3R,4S,6S)-5-[ethyl(methyl)amino]-2-(hydroxymethyl)-6-methoxy-3-methyloxan-4-ol
PubChem CID167334563
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Name(3R,4S,6S)-5-[ethyl(methyl)amino]-2-(hydroxymethyl)-6-methoxy-3-methyloxan-4-ol
SMILESCCN(C)C1[C@@H](OC)OC(CO)[C@H](C)[C@@H]1O
InChIInChI=1S/C11H23NO4/c1-5-12(3)9-10(14)7(2)8(6-13)16-11(9)15-4/h7-11,13-14H,5-6H2,1-4H3/t7-,8?,9?,10-,11-/m0/s1
InChIKeyVHVBZSHRVNPXMH-SNBPEGEQSA-N
XLogP-0.33
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-2-methoxy-5-methyloxane-3,4-diol
CID 162222185
[4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-methyloxan-3-yl]-trimethylazanium
CID 77422832
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-methoxy-5-methyloxane-3,4-diol
CID 88976224
[(3R,6R)-5-amino-6-methoxy-3,4-dimethyloxan-2-yl]methanol
CID 59893568
(2S,3S,5S)-2-[(2S,3S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-methyloxane-3,4-diol
CID 131971000
(2R,4R,5R)-5-ethyl-2-methoxy-4-methyloxolan-3-ol
CID 118680820
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889245
(2S,3S,4S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12042993
(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 11789546
[(2S,3S,5R,6R)-3-(hydroxymethyl)-5,6-dimethoxy-1,4-dioxan-2-yl]methanol
CID 166639551
(2R,3R,4S,5R,6R)-2-(hydroxy(113C)methyl)-6-methoxy(2,3-13C2)oxane-3,4,5-triol
CID 101247773

Frequently Asked Questions

What is the IUPAC name of (3R,4S,6S)-5-[ethyl(methyl)amino]-2-(hydroxymethyl)-6-methoxy-3-methyloxan-4-ol?
The IUPAC name of (3R,4S,6S)-5-[ethyl(methyl)amino]-2-(hydroxymethyl)-6-methoxy-3-methyloxan-4-ol (CID 167334563) is (3R,4S,6S)-5-[ethyl(methyl)amino]-2-(hydroxymethyl)-6-methoxy-3-methyloxan-4-ol.
What is the SMILES notation for (3R,4S,6S)-5-[ethyl(methyl)amino]-2-(hydroxymethyl)-6-methoxy-3-methyloxan-4-ol?
The canonical SMILES for (3R,4S,6S)-5-[ethyl(methyl)amino]-2-(hydroxymethyl)-6-methoxy-3-methyloxan-4-ol is CCN(C)C1[C@@H](OC)OC(CO)[C@H](C)[C@@H]1O.
What is the InChIKey of (3R,4S,6S)-5-[ethyl(methyl)amino]-2-(hydroxymethyl)-6-methoxy-3-methyloxan-4-ol?
The InChIKey is VHVBZSHRVNPXMH-SNBPEGEQSA-N. The full InChI is InChI=1S/C11H23NO4/c1-5-12(3)9-10(14)7(2)8(6-13)16-11(9)15-4/h7-11,13-14H,5-6H2,1-4H3/t7-,8?,9?,10-,11-/m0/s1.
What are the key properties of (3R,4S,6S)-5-[ethyl(methyl)amino]-2-(hydroxymethyl)-6-methoxy-3-methyloxan-4-ol?
(3R,4S,6S)-5-[ethyl(methyl)amino]-2-(hydroxymethyl)-6-methoxy-3-methyloxan-4-ol has a molecular weight of 233.31 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,6S)-5-[ethyl(methyl)amino]-2-(hydroxymethyl)-6-methoxy-3-methyloxan-4-ol is sourced from PubChem (CID 167334563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).