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

C12H23NO8 — CID 91848266

IUPAC(2S,3R,4S,5R)-2-[(3R,4S,5S,6R)-2,3-dihydroxy-6-methyl-5-(methylamino)oxan-4-yl]oxyoxane-3,4,5-triol
SMILESCN[C@@H]1[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)C(O)O[C@@H]1C
InChIInChI=1S/C12H23NO8/c1-4-6(13-2)10(9(17)11(18)20-4)21-12-8(16)7(15)5(14)3-19-12/h4-18H,3H2,1-2H3/t4-,5-,6+,7+,8-,9-,10+,11?,12+/m1/s1
InChIKeyRHQGENJRKVTAEG-GCUCSGGJSA-N
MW309.32 g/mol
LogP-3.50
Rot. Bonds3

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

(2S,3R,4S,5R)-2-[(3R,4S,5S,6R)-2,3-dihydroxy-6-methyl-5-(methylamino)oxan-4-yl]oxyoxane-3,4,5-triol (PubChem CID 91848266) has the molecular formula C12H23NO8 and a molecular weight of 309.32 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2-[(3R,4S,5S,6R)-2,3-dihydroxy-6-methyl-5-(methylamino)oxan-4-yl]oxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2-[(3R,4S,5S,6R)-2,3-dihydroxy-6-methyl-5-(methylamino)oxan-4-yl]oxyoxane-3,4,5-triol
PubChem CID91848266
Molecular FormulaC12H23NO8
Molecular Weight309.32 g/mol
Exact Mass309.14
IUPAC Name(2S,3R,4S,5R)-2-[(3R,4S,5S,6R)-2,3-dihydroxy-6-methyl-5-(methylamino)oxan-4-yl]oxyoxane-3,4,5-triol
SMILESCN[C@@H]1[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)C(O)O[C@@H]1C
InChIInChI=1S/C12H23NO8/c1-4-6(13-2)10(9(17)11(18)20-4)21-12-8(16)7(15)5(14)3-19-12/h4-18H,3H2,1-2H3/t4-,5-,6+,7+,8-,9-,10+,11?,12+/m1/s1
InChIKeyRHQGENJRKVTAEG-GCUCSGGJSA-N
XLogP-3.50
TPSA140.87 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.32
LogP ≤ 5-3.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-2-[(3R,4S,5S,6R)-2,3-dihydroxy-6-methyl-5-(methylamino)oxan-4-yl]oxyoxane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5R)-2-[(3R,4S,5S,6R)-2,3-dihydroxy-6-methyl-5-(methylamino)oxan-4-yl]oxyoxane-3,4,5-triol (CID 91848266) is (2S,3R,4S,5R)-2-[(3R,4S,5S,6R)-2,3-dihydroxy-6-methyl-5-(methylamino)oxan-4-yl]oxyoxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5R)-2-[(3R,4S,5S,6R)-2,3-dihydroxy-6-methyl-5-(methylamino)oxan-4-yl]oxyoxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5R)-2-[(3R,4S,5S,6R)-2,3-dihydroxy-6-methyl-5-(methylamino)oxan-4-yl]oxyoxane-3,4,5-triol is CN[C@@H]1[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)C(O)O[C@@H]1C.
What is the InChIKey of (2S,3R,4S,5R)-2-[(3R,4S,5S,6R)-2,3-dihydroxy-6-methyl-5-(methylamino)oxan-4-yl]oxyoxane-3,4,5-triol?
The InChIKey is RHQGENJRKVTAEG-GCUCSGGJSA-N. The full InChI is InChI=1S/C12H23NO8/c1-4-6(13-2)10(9(17)11(18)20-4)21-12-8(16)7(15)5(14)3-19-12/h4-18H,3H2,1-2H3/t4-,5-,6+,7+,8-,9-,10+,11?,12+/m1/s1.
What are the key properties of (2S,3R,4S,5R)-2-[(3R,4S,5S,6R)-2,3-dihydroxy-6-methyl-5-(methylamino)oxan-4-yl]oxyoxane-3,4,5-triol?
(2S,3R,4S,5R)-2-[(3R,4S,5S,6R)-2,3-dihydroxy-6-methyl-5-(methylamino)oxan-4-yl]oxyoxane-3,4,5-triol has a molecular weight of 309.32 g/mol, XLogP of -3.50, 3 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2-[(3R,4S,5S,6R)-2,3-dihydroxy-6-methyl-5-(methylamino)oxan-4-yl]oxyoxane-3,4,5-triol is sourced from PubChem (CID 91848266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).