(4R,6S)-2-(hydroxymethyl)-6-[[(3R,5S)-5-hydroxyoxan-3-yl]amino]oxan-4-ol

C11H21NO5 — CID 129103781

IUPAC(4R,6S)-2-(hydroxymethyl)-6-[[(3R,5S)-5-hydroxyoxan-3-yl]amino]oxan-4-ol
SMILESOCC1C[C@@H](O)C[C@@H](N[C@H]2COC[C@@H](O)C2)O1
InChIInChI=1S/C11H21NO5/c13-4-10-2-8(14)3-11(17-10)12-7-1-9(15)6-16-5-7/h7-15H,1-6H2/t7-,8-,9+,10?,11+/m1/s1
InChIKeyLKAWRCYTNZZPGO-IXVVEVSDSA-N
MW247.29 g/mol
LogP-1.42
Rot. Bonds3

About (4R,6S)-2-(hydroxymethyl)-6-[[(3R,5S)-5-hydroxyoxan-3-yl]amino]oxan-4-ol

(4R,6S)-2-(hydroxymethyl)-6-[[(3R,5S)-5-hydroxyoxan-3-yl]amino]oxan-4-ol (PubChem CID 129103781) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is (4R,6S)-2-(hydroxymethyl)-6-[[(3R,5S)-5-hydroxyoxan-3-yl]amino]oxan-4-ol.

Molecular Properties

Compound Name(4R,6S)-2-(hydroxymethyl)-6-[[(3R,5S)-5-hydroxyoxan-3-yl]amino]oxan-4-ol
PubChem CID129103781
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Name(4R,6S)-2-(hydroxymethyl)-6-[[(3R,5S)-5-hydroxyoxan-3-yl]amino]oxan-4-ol
SMILESOCC1C[C@@H](O)C[C@@H](N[C@H]2COC[C@@H](O)C2)O1
InChIInChI=1S/C11H21NO5/c13-4-10-2-8(14)3-11(17-10)12-7-1-9(15)6-16-5-7/h7-15H,1-6H2/t7-,8-,9+,10?,11+/m1/s1
InChIKeyLKAWRCYTNZZPGO-IXVVEVSDSA-N
XLogP-1.42
TPSA91.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 5-1.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R,6S)-2-(hydroxymethyl)-6-[[(3R,5S)-5-hydroxyoxan-3-yl]amino]oxan-4-ol?
The IUPAC name of (4R,6S)-2-(hydroxymethyl)-6-[[(3R,5S)-5-hydroxyoxan-3-yl]amino]oxan-4-ol (CID 129103781) is (4R,6S)-2-(hydroxymethyl)-6-[[(3R,5S)-5-hydroxyoxan-3-yl]amino]oxan-4-ol.
What is the SMILES notation for (4R,6S)-2-(hydroxymethyl)-6-[[(3R,5S)-5-hydroxyoxan-3-yl]amino]oxan-4-ol?
The canonical SMILES for (4R,6S)-2-(hydroxymethyl)-6-[[(3R,5S)-5-hydroxyoxan-3-yl]amino]oxan-4-ol is OCC1C[C@@H](O)C[C@@H](N[C@H]2COC[C@@H](O)C2)O1.
What is the InChIKey of (4R,6S)-2-(hydroxymethyl)-6-[[(3R,5S)-5-hydroxyoxan-3-yl]amino]oxan-4-ol?
The InChIKey is LKAWRCYTNZZPGO-IXVVEVSDSA-N. The full InChI is InChI=1S/C11H21NO5/c13-4-10-2-8(14)3-11(17-10)12-7-1-9(15)6-16-5-7/h7-15H,1-6H2/t7-,8-,9+,10?,11+/m1/s1.
What are the key properties of (4R,6S)-2-(hydroxymethyl)-6-[[(3R,5S)-5-hydroxyoxan-3-yl]amino]oxan-4-ol?
(4R,6S)-2-(hydroxymethyl)-6-[[(3R,5S)-5-hydroxyoxan-3-yl]amino]oxan-4-ol has a molecular weight of 247.29 g/mol, XLogP of -1.42, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-2-(hydroxymethyl)-6-[[(3R,5S)-5-hydroxyoxan-3-yl]amino]oxan-4-ol is sourced from PubChem (CID 129103781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).