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

C7H15NO5 — CID 59109229

IUPAC(4S,5S,6R)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol
SMILESCO[C@@H]1OC(CN)C(O)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H15NO5/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-7,9-11H,2,8H2,1H3/t3?,4?,5-,6-,7+/m0/s1
InChIKeyBJYPUAVFYCRNFH-IAPGCHJFSA-N
MW193.20 g/mol
LogP-2.60
Rot. Bonds2

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

(4S,5S,6R)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol (PubChem CID 59109229) has the molecular formula C7H15NO5 and a molecular weight of 193.20 g/mol. Its IUPAC name is (4S,5S,6R)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(4S,5S,6R)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol
PubChem CID59109229
Molecular FormulaC7H15NO5
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Name(4S,5S,6R)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol
SMILESCO[C@@H]1OC(CN)C(O)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H15NO5/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-7,9-11H,2,8H2,1H3/t3?,4?,5-,6-,7+/m0/s1
InChIKeyBJYPUAVFYCRNFH-IAPGCHJFSA-N
XLogP-2.60
TPSA105.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-2.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R,4S,5S,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol
CID 131089341
(2R,3R,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol;hydrochloride
CID 131842478
(2R,3S,4R,5S,6R,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 101497446
2-ethyl-6-methoxyoxane-3,4,5-triol
CID 21334747
(2R,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89334759
(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
(3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 132769952
(3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol
CID 58503038
(6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89221036
(2S,3S,4R,5R,6S,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 90760723
(3R,5R,6R)-2-(aminomethyl)-6-methoxy-4,5-dimethyloxan-3-ol
CID 54071256

Frequently Asked Questions

What is the IUPAC name of (4S,5S,6R)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol?
The IUPAC name of (4S,5S,6R)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol (CID 59109229) is (4S,5S,6R)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol.
What is the SMILES notation for (4S,5S,6R)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol?
The canonical SMILES for (4S,5S,6R)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol is CO[C@@H]1OC(CN)C(O)[C@H](O)[C@@H]1O.
What is the InChIKey of (4S,5S,6R)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol?
The InChIKey is BJYPUAVFYCRNFH-IAPGCHJFSA-N. The full InChI is InChI=1S/C7H15NO5/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-7,9-11H,2,8H2,1H3/t3?,4?,5-,6-,7+/m0/s1.
What are the key properties of (4S,5S,6R)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol?
(4S,5S,6R)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol has a molecular weight of 193.20 g/mol, XLogP of -2.60, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S,6R)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol is sourced from PubChem (CID 59109229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).