3,5-diamino-2-methoxyoxan-4-ol

C6H14N2O3 — CID 74817913

IUPAC3,5-diamino-2-methoxyoxan-4-ol
SMILESCOC1OCC(N)C(O)C1N
InChIInChI=1S/C6H14N2O3/c1-10-6-4(8)5(9)3(7)2-11-6/h3-6,9H,2,7-8H2,1H3
InChIKeyWPJTUCOSYYNCSR-UHFFFAOYSA-N
MW162.19 g/mol
LogP-2.00
Rot. Bonds1

About 3,5-diamino-2-methoxyoxan-4-ol

3,5-diamino-2-methoxyoxan-4-ol (PubChem CID 74817913) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is 3,5-diamino-2-methoxyoxan-4-ol.

Molecular Properties

Compound Name3,5-diamino-2-methoxyoxan-4-ol
PubChem CID74817913
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Name3,5-diamino-2-methoxyoxan-4-ol
SMILESCOC1OCC(N)C(O)C1N
InChIInChI=1S/C6H14N2O3/c1-10-6-4(8)5(9)3(7)2-11-6/h3-6,9H,2,7-8H2,1H3
InChIKeyWPJTUCOSYYNCSR-UHFFFAOYSA-N
XLogP-2.00
TPSA90.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-2.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S,4S)-2-methoxyoxolane-3,4-diol
CID 130831872
(2R,3R,4S)-2-methoxyoxolane-3,4-diol
CID 14443636
(2S,4R,5R)-2-methoxyoxane-3,4,5-triol
CID 24802344
(2R,3S,4R)-3-amino-2-methoxyoxan-4-ol
CID 55289399
(2S,3R,4S,5R)-2,4-dimethoxyoxane-3,5-diol
CID 100984386
5-amino-4-azido-6-methoxyoxan-3-ol
CID 14456147
(2R,4R,5S)-5-amino-2-methyloxane-3,4-diol
CID 91820713
(2S,3S,4S,5S,6R)-2,6-dimethoxyoxepane-3,4,5-triol
CID 58510378
(2R,3R,4S,5R,6R)-2-[(2S,3R,4S,5R)-3,5-diamino-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 100978757
(5-amino-3,4-dihydroxyoxan-2-yl) dihydrogen phosphate
CID 115
(2R,3R,4S,5R,6R)-2-[(2S,3R,4S,5R)-3,5-diamino-2-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 100978756
(2R,3R,4R,5S)-4-amino-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
CID 57309160

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-2-methoxyoxan-4-ol?
The IUPAC name of 3,5-diamino-2-methoxyoxan-4-ol (CID 74817913) is 3,5-diamino-2-methoxyoxan-4-ol.
What is the SMILES notation for 3,5-diamino-2-methoxyoxan-4-ol?
The canonical SMILES for 3,5-diamino-2-methoxyoxan-4-ol is COC1OCC(N)C(O)C1N.
What is the InChIKey of 3,5-diamino-2-methoxyoxan-4-ol?
The InChIKey is WPJTUCOSYYNCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3/c1-10-6-4(8)5(9)3(7)2-11-6/h3-6,9H,2,7-8H2,1H3.
What are the key properties of 3,5-diamino-2-methoxyoxan-4-ol?
3,5-diamino-2-methoxyoxan-4-ol has a molecular weight of 162.19 g/mol, XLogP of -2.00, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-2-methoxyoxan-4-ol is sourced from PubChem (CID 74817913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).