(3R,4R,5S,6R)-2,4,5-triethoxy-6-(methoxymethyl)oxan-3-amine

C13H27NO5 — CID 24804010

IUPAC(3R,4R,5S,6R)-2,4,5-triethoxy-6-(methoxymethyl)oxan-3-amine
SMILESCCOC1O[C@H](COC)[C@@H](OCC)[C@H](OCC)[C@H]1N
InChIInChI=1S/C13H27NO5/c1-5-16-11-9(8-15-4)19-13(18-7-3)10(14)12(11)17-6-2/h9-13H,5-8,14H2,1-4H3/t9-,10-,11-,12-,13?/m1/s1
InChIKeyDKADNNCCFASRLO-JVASRFHESA-N
MW277.36 g/mol
LogP0.53
Rot. Bonds8

About (3R,4R,5S,6R)-2,4,5-triethoxy-6-(methoxymethyl)oxan-3-amine

(3R,4R,5S,6R)-2,4,5-triethoxy-6-(methoxymethyl)oxan-3-amine (PubChem CID 24804010) has the molecular formula C13H27NO5 and a molecular weight of 277.36 g/mol. Its IUPAC name is (3R,4R,5S,6R)-2,4,5-triethoxy-6-(methoxymethyl)oxan-3-amine.

Molecular Properties

Compound Name(3R,4R,5S,6R)-2,4,5-triethoxy-6-(methoxymethyl)oxan-3-amine
PubChem CID24804010
Molecular FormulaC13H27NO5
Molecular Weight277.36 g/mol
Exact Mass277.19
IUPAC Name(3R,4R,5S,6R)-2,4,5-triethoxy-6-(methoxymethyl)oxan-3-amine
SMILESCCOC1O[C@H](COC)[C@@H](OCC)[C@H](OCC)[C@H]1N
InChIInChI=1S/C13H27NO5/c1-5-16-11-9(8-15-4)19-13(18-7-3)10(14)12(11)17-6-2/h9-13H,5-8,14H2,1-4H3/t9-,10-,11-,12-,13?/m1/s1
InChIKeyDKADNNCCFASRLO-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

(3R,4R,5S,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-amine
CID 24804009
(2R,3R,4S,5S,6R)-2,3,4,5-tetramethoxy-6-(methoxymethyl)oxane
CID 12900878
3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 91701485
[(2R,3R,4S,5S,6S)-3,4-diacetyloxy-6-ethoxy-5-iodooxan-2-yl]methyl acetate
CID 101256995
(2R,3S)-2,3-diethoxyoxirane
CID 10701862
(2R,4R,5R)-3,4-dimethoxy-2-(methoxymethyl)-5-methyloxolane
CID 174068913
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-ethoxyoxan-2-yl]methyl acetate
CID 14313006
[(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-ethoxyoxan-2-yl]methyl acetate
CID 54493907
(2R,3S,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[2-[2-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethoxy]ethoxy]oxane
CID 101182912
[(2R,3R,4S,5R,6S)-4,5,6-triacetyloxy-2-(methoxymethyl)oxan-3-yl] acetate
CID 91751777
[(2S,3R,4R,5S)-4,5,6-triacetyloxy-2-(methoxymethyl)oxan-3-yl] acetate
CID 131709256
[(2R,3R,4S,5R,6S)-2-(methoxymethyl)-3,5,6-tris(trimethylsilyloxy)oxan-4-yl]oxy-trimethylsilane
CID 22294600

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S,6R)-2,4,5-triethoxy-6-(methoxymethyl)oxan-3-amine?
The IUPAC name of (3R,4R,5S,6R)-2,4,5-triethoxy-6-(methoxymethyl)oxan-3-amine (CID 24804010) is (3R,4R,5S,6R)-2,4,5-triethoxy-6-(methoxymethyl)oxan-3-amine.
What is the SMILES notation for (3R,4R,5S,6R)-2,4,5-triethoxy-6-(methoxymethyl)oxan-3-amine?
The canonical SMILES for (3R,4R,5S,6R)-2,4,5-triethoxy-6-(methoxymethyl)oxan-3-amine is CCOC1O[C@H](COC)[C@@H](OCC)[C@H](OCC)[C@H]1N.
What is the InChIKey of (3R,4R,5S,6R)-2,4,5-triethoxy-6-(methoxymethyl)oxan-3-amine?
The InChIKey is DKADNNCCFASRLO-JVASRFHESA-N. The full InChI is InChI=1S/C13H27NO5/c1-5-16-11-9(8-15-4)19-13(18-7-3)10(14)12(11)17-6-2/h9-13H,5-8,14H2,1-4H3/t9-,10-,11-,12-,13?/m1/s1.
What are the key properties of (3R,4R,5S,6R)-2,4,5-triethoxy-6-(methoxymethyl)oxan-3-amine?
(3R,4R,5S,6R)-2,4,5-triethoxy-6-(methoxymethyl)oxan-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)-2,4,5-triethoxy-6-(methoxymethyl)oxan-3-amine is sourced from PubChem (CID 24804010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).