(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol

C13H25NO9 — CID 156616323

IUPAC(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
SMILESCN[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)O[C@@H]1C
InChIInChI=1S/C13H25NO9/c1-4-6(14-2)7(16)10(19)13(21-4)23-11-5(3-15)22-12(20)9(18)8(11)17/h4-20H,3H2,1-2H3/t4-,5-,6-,7+,8-,9-,10-,11-,12+,13-/m1/s1
InChIKeyTWZICHDHYITCMW-GQMWFRSDSA-N
MW339.34 g/mol
LogP-4.14
Rot. Bonds4

About (2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol

(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol (PubChem CID 156616323) has the molecular formula C13H25NO9 and a molecular weight of 339.34 g/mol. Its IUPAC name is (2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol.

Molecular Properties

Compound Name(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
PubChem CID156616323
Molecular FormulaC13H25NO9
Molecular Weight339.34 g/mol
Exact Mass339.15
IUPAC Name(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
SMILESCN[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)O[C@@H]1C
InChIInChI=1S/C13H25NO9/c1-4-6(14-2)7(16)10(19)13(21-4)23-11-5(3-15)22-12(20)9(18)8(11)17/h4-20H,3H2,1-2H3/t4-,5-,6-,7+,8-,9-,10-,11-,12+,13-/m1/s1
InChIKeyTWZICHDHYITCMW-GQMWFRSDSA-N
XLogP-4.14
TPSA161.10 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.34
LogP ≤ 5-4.14
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Analyze (2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol?
The IUPAC name of (2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol (CID 156616323) is (2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol.
What is the SMILES notation for (2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol?
The canonical SMILES for (2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol is CN[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)O[C@@H]1C.
What is the InChIKey of (2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol?
The InChIKey is TWZICHDHYITCMW-GQMWFRSDSA-N. The full InChI is InChI=1S/C13H25NO9/c1-4-6(14-2)7(16)10(19)13(21-4)23-11-5(3-15)22-12(20)9(18)8(11)17/h4-20H,3H2,1-2H3/t4-,5-,6-,7+,8-,9-,10-,11-,12+,13-/m1/s1.
What are the key properties of (2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol?
(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol has a molecular weight of 339.34 g/mol, XLogP of -4.14, 4 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol is sourced from PubChem (CID 156616323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).