(3R,4R,5S,6R)-4,5-diethoxy-6-(ethoxymethyl)-2-methoxyoxan-3-amine

C13H27NO5 — CID 24804178

IUPAC(3R,4R,5S,6R)-4,5-diethoxy-6-(ethoxymethyl)-2-methoxyoxan-3-amine
SMILESCCOC[C@H]1OC(OC)[C@H](N)[C@@H](OCC)[C@@H]1OCC
InChIInChI=1S/C13H27NO5/c1-5-16-8-9-11(17-6-2)12(18-7-3)10(14)13(15-4)19-9/h9-13H,5-8,14H2,1-4H3/t9-,10-,11-,12-,13?/m1/s1
InChIKeyMQOOZXUZWUILGA-JVASRFHESA-N
MW277.36 g/mol
LogP0.53
Rot. Bonds8

About (3R,4R,5S,6R)-4,5-diethoxy-6-(ethoxymethyl)-2-methoxyoxan-3-amine

(3R,4R,5S,6R)-4,5-diethoxy-6-(ethoxymethyl)-2-methoxyoxan-3-amine (PubChem CID 24804178) has the molecular formula C13H27NO5 and a molecular weight of 277.36 g/mol. Its IUPAC name is (3R,4R,5S,6R)-4,5-diethoxy-6-(ethoxymethyl)-2-methoxyoxan-3-amine.

Molecular Properties

Compound Name(3R,4R,5S,6R)-4,5-diethoxy-6-(ethoxymethyl)-2-methoxyoxan-3-amine
PubChem CID24804178
Molecular FormulaC13H27NO5
Molecular Weight277.36 g/mol
Exact Mass277.19
IUPAC Name(3R,4R,5S,6R)-4,5-diethoxy-6-(ethoxymethyl)-2-methoxyoxan-3-amine
SMILESCCOC[C@H]1OC(OC)[C@H](N)[C@@H](OCC)[C@@H]1OCC
InChIInChI=1S/C13H27NO5/c1-5-16-8-9-11(17-6-2)12(18-7-3)10(14)13(15-4)19-9/h9-13H,5-8,14H2,1-4H3/t9-,10-,11-,12-,13?/m1/s1
InChIKeyMQOOZXUZWUILGA-JVASRFHESA-N
XLogP0.53
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-O-(2-amino-2-deoxy-beta-D-glucopyranosyl)-2-deoxy-beta-D-glucopyranose
CID 16213812
(2R,3S,4R,5R,6R)-5-amino-6-[(2R)-3-hexadecoxy-2-methoxypropoxy]-2-(hydroxymethyl)oxane-3,4-diol
CID 10368367
GlyTouCan:G25087CA
CID 3458144
beta-D-Glucopyranose, 2-amino-2-deoxy-, 1,3,4,6-tetraacetate, hydrochloride (1:1)
CID 202259
Trehalose, 2-amino-2-deoxy-, hydrochloride
CID 209700
Trehalosamine
CID 213871
[(2R,3S,4R,5R,6S)-3,4,6-triacetyloxy-5-aminooxan-2-yl]methyl acetate
CID 202260
(3,4,6-Triacetyloxy-5-aminooxan-2-yl)methyl acetate
CID 408523
4-Amino-2-hexyloxy-6-hydroxymethyl-tetrahydro-pyran-3,5-diol
CID 448295
(2R,3S,4R,5R,6S)-5-amino-6-[(2R)-3-hexadecoxy-2-methoxypropoxy]-2-(hydroxymethyl)oxane-3,4-diol
CID 71612623
(2R,3R,4R,5R,6S)-5-amino-6-(3-hexadecoxy-2-methoxypropoxy)-2-(hydroxymethyl)oxane-3,4-diol
CID 90671603
(2R,3S,4R,5R,6S)-5-amino-6-(3-hexadecoxy-2-methoxypropoxy)-2-(hydroxymethyl)oxane-3,4-diol
CID 90671693

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S,6R)-4,5-diethoxy-6-(ethoxymethyl)-2-methoxyoxan-3-amine?
The IUPAC name of (3R,4R,5S,6R)-4,5-diethoxy-6-(ethoxymethyl)-2-methoxyoxan-3-amine (CID 24804178) is (3R,4R,5S,6R)-4,5-diethoxy-6-(ethoxymethyl)-2-methoxyoxan-3-amine.
What is the SMILES notation for (3R,4R,5S,6R)-4,5-diethoxy-6-(ethoxymethyl)-2-methoxyoxan-3-amine?
The canonical SMILES for (3R,4R,5S,6R)-4,5-diethoxy-6-(ethoxymethyl)-2-methoxyoxan-3-amine is CCOC[C@H]1OC(OC)[C@H](N)[C@@H](OCC)[C@@H]1OCC.
What is the InChIKey of (3R,4R,5S,6R)-4,5-diethoxy-6-(ethoxymethyl)-2-methoxyoxan-3-amine?
The InChIKey is MQOOZXUZWUILGA-JVASRFHESA-N. The full InChI is InChI=1S/C13H27NO5/c1-5-16-8-9-11(17-6-2)12(18-7-3)10(14)13(15-4)19-9/h9-13H,5-8,14H2,1-4H3/t9-,10-,11-,12-,13?/m1/s1.
What are the key properties of (3R,4R,5S,6R)-4,5-diethoxy-6-(ethoxymethyl)-2-methoxyoxan-3-amine?
(3R,4R,5S,6R)-4,5-diethoxy-6-(ethoxymethyl)-2-methoxyoxan-3-amine has a molecular weight of 277.36 g/mol, XLogP of 0.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S,6R)-4,5-diethoxy-6-(ethoxymethyl)-2-methoxyoxan-3-amine is sourced from PubChem (CID 24804178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).