5-amino-2-(hydroxymethyl)-4-methoxy-6,6-dimethyloxan-3-ol

C9H19NO4 — CID 59937976

IUPAC5-amino-2-(hydroxymethyl)-4-methoxy-6,6-dimethyloxan-3-ol
SMILESCOC1C(O)C(CO)OC(C)(C)C1N
InChIInChI=1S/C9H19NO4/c1-9(2)8(10)7(13-3)6(12)5(4-11)14-9/h5-8,11-12H,4,10H2,1-3H3
InChIKeyHRYGUFWCEROXSZ-UHFFFAOYSA-N
MW205.25 g/mol
LogP-1.14
Rot. Bonds2

About 5-amino-2-(hydroxymethyl)-4-methoxy-6,6-dimethyloxan-3-ol

5-amino-2-(hydroxymethyl)-4-methoxy-6,6-dimethyloxan-3-ol (PubChem CID 59937976) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 5-amino-2-(hydroxymethyl)-4-methoxy-6,6-dimethyloxan-3-ol.

Molecular Properties

Compound Name5-amino-2-(hydroxymethyl)-4-methoxy-6,6-dimethyloxan-3-ol
PubChem CID59937976
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name5-amino-2-(hydroxymethyl)-4-methoxy-6,6-dimethyloxan-3-ol
SMILESCOC1C(O)C(CO)OC(C)(C)C1N
InChIInChI=1S/C9H19NO4/c1-9(2)8(10)7(13-3)6(12)5(4-11)14-9/h5-8,11-12H,4,10H2,1-3H3
InChIKeyHRYGUFWCEROXSZ-UHFFFAOYSA-N
XLogP-1.14
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(hydroxymethyl)-5,5-dimethyloxolan-3-ol
CID 137455676
(1R,4R)-3-(hydroxymethyl)-5-methoxy-2,7-dioxabicyclo[4.1.0]heptane-1,4-diol
CID 89222329
(5S)-6-(hydroxymethyl)-2,2-dimethyloxane-3,4,5-triol
CID 163493374
(5S)-5-[(2S,5S)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol
CID 54065452
(3S,4R,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol
CID 102165181
(3R,4S,5R,6R)-6-(hydroxy(113C)methyl)-4-methoxyoxane-2,3,5-triol
CID 90472763
(2S,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)-4-methoxy(2,3,4,5,6-13C5)oxane-2,3,5-triol
CID 171713800
(2R,3S,4R,5R,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol
CID 97050066
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol
CID 102594811
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-methyloxane-2,4,5-triol;azane
CID 172738013
(2S,3S,4R,5R,6R)-6-(hydroxymethyl)-3,4-dimethoxyoxane-2,5-diol
CID 54319991
(2R,3R,5S)-5-(hydroxymethyl)-2-(methoxymethyl)-2-methyloxolane-3,4-diol
CID 58212467

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(hydroxymethyl)-4-methoxy-6,6-dimethyloxan-3-ol?
The IUPAC name of 5-amino-2-(hydroxymethyl)-4-methoxy-6,6-dimethyloxan-3-ol (CID 59937976) is 5-amino-2-(hydroxymethyl)-4-methoxy-6,6-dimethyloxan-3-ol.
What is the SMILES notation for 5-amino-2-(hydroxymethyl)-4-methoxy-6,6-dimethyloxan-3-ol?
The canonical SMILES for 5-amino-2-(hydroxymethyl)-4-methoxy-6,6-dimethyloxan-3-ol is COC1C(O)C(CO)OC(C)(C)C1N.
What is the InChIKey of 5-amino-2-(hydroxymethyl)-4-methoxy-6,6-dimethyloxan-3-ol?
The InChIKey is HRYGUFWCEROXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-9(2)8(10)7(13-3)6(12)5(4-11)14-9/h5-8,11-12H,4,10H2,1-3H3.
What are the key properties of 5-amino-2-(hydroxymethyl)-4-methoxy-6,6-dimethyloxan-3-ol?
5-amino-2-(hydroxymethyl)-4-methoxy-6,6-dimethyloxan-3-ol has a molecular weight of 205.25 g/mol, XLogP of -1.14, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(hydroxymethyl)-4-methoxy-6,6-dimethyloxan-3-ol is sourced from PubChem (CID 59937976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).