(3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-methyloxane-3,4-diol

C7H15NO4 — CID 122537280

IUPAC(3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-methyloxane-3,4-diol
SMILESC[C@H]1OC(CO)[C@@H](O)[C@H](O)C1N
InChIInChI=1S/C7H15NO4/c1-3-5(8)7(11)6(10)4(2-9)12-3/h3-7,9-11H,2,8H2,1H3/t3-,4?,5?,6-,7-/m1/s1
InChIKeyXJSPDRFMLGJORM-ADUSJGTISA-N
MW177.20 g/mol
LogP-2.18
Rot. Bonds1

About (3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-methyloxane-3,4-diol

(3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-methyloxane-3,4-diol (PubChem CID 122537280) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is (3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-methyloxane-3,4-diol.

Molecular Properties

Compound Name(3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-methyloxane-3,4-diol
PubChem CID122537280
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name(3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-methyloxane-3,4-diol
SMILESC[C@H]1OC(CO)[C@@H](O)[C@H](O)C1N
InChIInChI=1S/C7H15NO4/c1-3-5(8)7(11)6(10)4(2-9)12-3/h3-7,9-11H,2,8H2,1H3/t3-,4?,5?,6-,7-/m1/s1
InChIKeyXJSPDRFMLGJORM-ADUSJGTISA-N
XLogP-2.18
TPSA95.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-2.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59039787
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59795634
(3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 146299921
(2R,4R,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 157377669
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 118332787
(3R,4R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 121426281
(3R,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 67472419
(2R,3S,4S,5S)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 122527518
(3R,4S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 89126966
(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 59116084
(4R,5R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 143617458
(2R,3R,4S,5R,6S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 7568496

Frequently Asked Questions

What is the IUPAC name of (3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-methyloxane-3,4-diol?
The IUPAC name of (3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-methyloxane-3,4-diol (CID 122537280) is (3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-methyloxane-3,4-diol.
What is the SMILES notation for (3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-methyloxane-3,4-diol?
The canonical SMILES for (3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-methyloxane-3,4-diol is C[C@H]1OC(CO)[C@@H](O)[C@H](O)C1N.
What is the InChIKey of (3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-methyloxane-3,4-diol?
The InChIKey is XJSPDRFMLGJORM-ADUSJGTISA-N. The full InChI is InChI=1S/C7H15NO4/c1-3-5(8)7(11)6(10)4(2-9)12-3/h3-7,9-11H,2,8H2,1H3/t3-,4?,5?,6-,7-/m1/s1.
What are the key properties of (3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-methyloxane-3,4-diol?
(3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-methyloxane-3,4-diol has a molecular weight of 177.20 g/mol, XLogP of -2.18, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-methyloxane-3,4-diol is sourced from PubChem (CID 122537280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).