6-(methoxymethyl)-3-(methylamino)-4-nitrosooxane-2,5-diol

C8H16N2O5 — CID 163414163

IUPAC6-(methoxymethyl)-3-(methylamino)-4-nitrosooxane-2,5-diol
SMILESCNC1C(O)OC(COC)C(O)C1N=O
InChIInChI=1S/C8H16N2O5/c1-9-6-5(10-13)7(11)4(3-14-2)15-8(6)12/h4-9,11-12H,3H2,1-2H3
InChIKeyACYXSYDJAMBHBI-UHFFFAOYSA-N
MW220.22 g/mol
LogP-1.57
Rot. Bonds4

About 6-(methoxymethyl)-3-(methylamino)-4-nitrosooxane-2,5-diol

6-(methoxymethyl)-3-(methylamino)-4-nitrosooxane-2,5-diol (PubChem CID 163414163) has the molecular formula C8H16N2O5 and a molecular weight of 220.22 g/mol. Its IUPAC name is 6-(methoxymethyl)-3-(methylamino)-4-nitrosooxane-2,5-diol.

Molecular Properties

Compound Name6-(methoxymethyl)-3-(methylamino)-4-nitrosooxane-2,5-diol
PubChem CID163414163
Molecular FormulaC8H16N2O5
Molecular Weight220.22 g/mol
Exact Mass220.11
IUPAC Name6-(methoxymethyl)-3-(methylamino)-4-nitrosooxane-2,5-diol
SMILESCNC1C(O)OC(COC)C(O)C1N=O
InChIInChI=1S/C8H16N2O5/c1-9-6-5(10-13)7(11)4(3-14-2)15-8(6)12/h4-9,11-12H,3H2,1-2H3
InChIKeyACYXSYDJAMBHBI-UHFFFAOYSA-N
XLogP-1.57
TPSA100.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-1.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-(methoxymethyl)-3-(methylamino)oxane-2,4,5-triol
CID 123282538
(2S,3S,4S,5S,6R)-6-(methoxymethyl)oxane-2,3,4,5-tetrol
CID 26176683
3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol
CID 6421426
(2R,3S,4S,5R,6S)-5-methoxy-6-(methoxymethyl)oxane-2,3,4-triol
CID 125028190
6-(hydroxymethyl)-4-nitrosooxane-2,3,5-triol
CID 89164102
(3S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol
CID 148734988
(2R,3S,4S,5S)-2-(chloromethyl)-5-(methoxymethyl)oxolane-3,4-diol
CID 131010758
(6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol
CID 163828593
N-[(2R,3R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 156616950
(3R,4S,5R,6R)-6-(methoxymethyl)-3,4-dipropoxyoxane-2,5-diol
CID 91331458
(2S,3R)-5-methyl-4-nitrosooxolane-2,3-diol
CID 139470569
(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol
CID 12903171

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-3-(methylamino)-4-nitrosooxane-2,5-diol?
The IUPAC name of 6-(methoxymethyl)-3-(methylamino)-4-nitrosooxane-2,5-diol (CID 163414163) is 6-(methoxymethyl)-3-(methylamino)-4-nitrosooxane-2,5-diol.
What is the SMILES notation for 6-(methoxymethyl)-3-(methylamino)-4-nitrosooxane-2,5-diol?
The canonical SMILES for 6-(methoxymethyl)-3-(methylamino)-4-nitrosooxane-2,5-diol is CNC1C(O)OC(COC)C(O)C1N=O.
What is the InChIKey of 6-(methoxymethyl)-3-(methylamino)-4-nitrosooxane-2,5-diol?
The InChIKey is ACYXSYDJAMBHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O5/c1-9-6-5(10-13)7(11)4(3-14-2)15-8(6)12/h4-9,11-12H,3H2,1-2H3.
What are the key properties of 6-(methoxymethyl)-3-(methylamino)-4-nitrosooxane-2,5-diol?
6-(methoxymethyl)-3-(methylamino)-4-nitrosooxane-2,5-diol has a molecular weight of 220.22 g/mol, XLogP of -1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-3-(methylamino)-4-nitrosooxane-2,5-diol is sourced from PubChem (CID 163414163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).