(2R,3R,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol;hydrochloride

C7H16ClNO5 — CID 131842478

IUPAC(2R,3R,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol;hydrochloride
SMILESCO[C@H]1O[C@H](CN)[C@H](O)[C@H](O)[C@H]1O.Cl
InChIInChI=1S/C7H15NO5.ClH/c1-12-7-6(11)5(10)4(9)3(2-8)13-7;/h3-7,9-11H,2,8H2,1H3;1H/t3-,4+,5+,6-,7+;/m1./s1
InChIKeyGFQAHWOAVJXCGH-SAPZPLNPSA-N
MW229.66 g/mol
LogP-2.18
Rot. Bonds2

About (2R,3R,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol;hydrochloride

(2R,3R,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol;hydrochloride (PubChem CID 131842478) has the molecular formula C7H16ClNO5 and a molecular weight of 229.66 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol;hydrochloride.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol;hydrochloride
PubChem CID131842478
Molecular FormulaC7H16ClNO5
Molecular Weight229.66 g/mol
Exact Mass229.07
IUPAC Name(2R,3R,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol;hydrochloride
SMILESCO[C@H]1O[C@H](CN)[C@H](O)[C@H](O)[C@H]1O.Cl
InChIInChI=1S/C7H15NO5.ClH/c1-12-7-6(11)5(10)4(9)3(2-8)13-7;/h3-7,9-11H,2,8H2,1H3;1H/t3-,4+,5+,6-,7+;/m1./s1
InChIKeyGFQAHWOAVJXCGH-SAPZPLNPSA-N
XLogP-2.18
TPSA105.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 5-2.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol;hydrochloride with MolForge

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Related Compounds

(4S,5S,6R)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol
CID 59109229
(2R,3R,4S,5S,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol
CID 131089341
(3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol
CID 58503038
2-ethyl-6-methoxyoxane-3,4,5-triol
CID 21334747
(2R,3R,4S,5R,6R)-2-(hydroxy(113C)methyl)-6-methoxy(2,3-13C2)oxane-3,4,5-triol
CID 101247773
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 160867169
(2R,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89334759
(3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 132769952
(2S,3S,4R,5R,6S,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 90760723
(6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89221036
(2R,3S,4R,5S,6R,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 101497446
(3R,5R,6R)-2-(aminomethyl)-6-methoxy-4,5-dimethyloxan-3-ol
CID 54071256

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol;hydrochloride?
The IUPAC name of (2R,3R,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol;hydrochloride (CID 131842478) is (2R,3R,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol;hydrochloride.
What is the SMILES notation for (2R,3R,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol;hydrochloride?
The canonical SMILES for (2R,3R,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol;hydrochloride is CO[C@H]1O[C@H](CN)[C@H](O)[C@H](O)[C@H]1O.Cl.
What is the InChIKey of (2R,3R,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol;hydrochloride?
The InChIKey is GFQAHWOAVJXCGH-SAPZPLNPSA-N. The full InChI is InChI=1S/C7H15NO5.ClH/c1-12-7-6(11)5(10)4(9)3(2-8)13-7;/h3-7,9-11H,2,8H2,1H3;1H/t3-,4+,5+,6-,7+;/m1./s1.
What are the key properties of (2R,3R,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol;hydrochloride?
(2R,3R,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol;hydrochloride has a molecular weight of 229.66 g/mol, XLogP of -2.18, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol;hydrochloride is sourced from PubChem (CID 131842478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).