(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-methyloxane-2,4,5-triol;azane

C7H18N2O5 — CID 172738013

IUPAC(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-methyloxane-2,4,5-triol;azane
SMILESCC1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N.N
InChIInChI=1S/C7H15NO5.H3N/c1-7(12)6(8)5(11)4(10)3(2-9)13-7;/h3-6,9-12H,2,8H2,1H3;1H3/t3-,4-,5+,6-,7?;/m1./s1
InChIKeyJLXBHNGLMXKIKN-YWTVWCBKSA-N
MW210.23 g/mol
LogP-2.70
Rot. Bonds1

About (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-methyloxane-2,4,5-triol;azane

(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-methyloxane-2,4,5-triol;azane (PubChem CID 172738013) has the molecular formula C7H18N2O5 and a molecular weight of 210.23 g/mol. Its IUPAC name is (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-methyloxane-2,4,5-triol;azane.

Molecular Properties

Compound Name(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-methyloxane-2,4,5-triol;azane
PubChem CID172738013
Molecular FormulaC7H18N2O5
Molecular Weight210.23 g/mol
Exact Mass210.12
IUPAC Name(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-methyloxane-2,4,5-triol;azane
SMILESCC1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N.N
InChIInChI=1S/C7H15NO5.H3N/c1-7(12)6(8)5(11)4(10)3(2-9)13-7;/h3-6,9-12H,2,8H2,1H3;1H3/t3-,4-,5+,6-,7?;/m1./s1
InChIKeyJLXBHNGLMXKIKN-YWTVWCBKSA-N
XLogP-2.70
TPSA151.17 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.23
LogP ≤ 5-2.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-methyloxane-2,4,5-triol;azane with MolForge

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Related Compounds

(2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol
CID 118591755
6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol;methane
CID 162165595
(2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol
CID 57267196
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-silyloxane-2,4,5-triol
CID 154185512
4-amino-2-(hydroxymethyl)-5,5-dimethyloxolan-3-ol
CID 137455676
[(2R,3S,4R,5R,6R)-5-amino-3,4,6-trihydroxy-6-methyloxan-2-yl]methyl dihydrogen phosphate
CID 140558629
1-[(3R,4R,5S,6R)-3-amino-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,2-dimethylpropan-1-one
CID 141416489
1-[(2R,3R,4R,5S,6R)-3-amino-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanone;phosphoric acid
CID 141008543
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-(19-hydroxynonadecyl)oxane-2,4,5-triol
CID 141228102
(5S)-6-(hydroxymethyl)-2,2-dimethyloxane-3,4,5-triol
CID 163493374
tert-butyl (3R,4R,5S,6R)-3-amino-2,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxylate
CID 131739857
5-amino-2-(hydroxymethyl)-4-methoxy-6,6-dimethyloxan-3-ol
CID 59937976

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-methyloxane-2,4,5-triol;azane?
The IUPAC name of (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-methyloxane-2,4,5-triol;azane (CID 172738013) is (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-methyloxane-2,4,5-triol;azane.
What is the SMILES notation for (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-methyloxane-2,4,5-triol;azane?
The canonical SMILES for (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-methyloxane-2,4,5-triol;azane is CC1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N.N.
What is the InChIKey of (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-methyloxane-2,4,5-triol;azane?
The InChIKey is JLXBHNGLMXKIKN-YWTVWCBKSA-N. The full InChI is InChI=1S/C7H15NO5.H3N/c1-7(12)6(8)5(11)4(10)3(2-9)13-7;/h3-6,9-12H,2,8H2,1H3;1H3/t3-,4-,5+,6-,7?;/m1./s1.
What are the key properties of (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-methyloxane-2,4,5-triol;azane?
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-methyloxane-2,4,5-triol;azane has a molecular weight of 210.23 g/mol, XLogP of -2.70, 1 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-methyloxane-2,4,5-triol;azane is sourced from PubChem (CID 172738013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).