(2S,3R,4R,5R,6R)-2-(2-aminoethyl)-6-(hydroxymethyl)oxane-3,4,5-triol

C8H17NO5 — CID 66883765

IUPAC(2S,3R,4R,5R,6R)-2-(2-aminoethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESNCC[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H17NO5/c9-2-1-4-6(11)8(13)7(12)5(3-10)14-4/h4-8,10-13H,1-3,9H2/t4-,5+,6-,7-,8+/m0/s1
InChIKeyBNFUZESWWRCHFC-GWVFRZDISA-N
MW207.23 g/mol
LogP-2.82
Rot. Bonds3

About (2S,3R,4R,5R,6R)-2-(2-aminoethyl)-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,3R,4R,5R,6R)-2-(2-aminoethyl)-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 66883765) has the molecular formula C8H17NO5 and a molecular weight of 207.23 g/mol. Its IUPAC name is (2S,3R,4R,5R,6R)-2-(2-aminoethyl)-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5R,6R)-2-(2-aminoethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID66883765
Molecular FormulaC8H17NO5
Molecular Weight207.23 g/mol
Exact Mass207.11
IUPAC Name(2S,3R,4R,5R,6R)-2-(2-aminoethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESNCC[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H17NO5/c9-2-1-4-6(11)8(13)7(12)5(3-10)14-4/h4-8,10-13H,1-3,9H2/t4-,5+,6-,7-,8+/m0/s1
InChIKeyBNFUZESWWRCHFC-GWVFRZDISA-N
XLogP-2.82
TPSA116.17 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-2.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (2S,3R,4R,5R,6R)-2-(2-aminoethyl)-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

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Related Compounds

(2R,3S,4R,5S,6R)-2-(2-aminoethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10822200
(2R,3S,4S,5R)-2,5-bis(2-aminoethyl)oxolane-3,4-diol;methane
CID 160993884
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
(3R,4R,5R,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91077336
(2S,3R,4S,5S,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 13472020
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-2,3,4,5-tetrol
CID 85179577
2-(hydroxymethyl)-6-(3-hydroxypropyl)oxane-3,4,5-triol
CID 59760904
(2R,3R,4R,5S,6R)-2-butyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 102470688

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R,6R)-2-(2-aminoethyl)-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5R,6R)-2-(2-aminoethyl)-6-(hydroxymethyl)oxane-3,4,5-triol (CID 66883765) is (2S,3R,4R,5R,6R)-2-(2-aminoethyl)-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5R,6R)-2-(2-aminoethyl)-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5R,6R)-2-(2-aminoethyl)-6-(hydroxymethyl)oxane-3,4,5-triol is NCC[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5R,6R)-2-(2-aminoethyl)-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is BNFUZESWWRCHFC-GWVFRZDISA-N. The full InChI is InChI=1S/C8H17NO5/c9-2-1-4-6(11)8(13)7(12)5(3-10)14-4/h4-8,10-13H,1-3,9H2/t4-,5+,6-,7-,8+/m0/s1.
What are the key properties of (2S,3R,4R,5R,6R)-2-(2-aminoethyl)-6-(hydroxymethyl)oxane-3,4,5-triol?
(2S,3R,4R,5R,6R)-2-(2-aminoethyl)-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 207.23 g/mol, XLogP of -2.82, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R,6R)-2-(2-aminoethyl)-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 66883765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).