2-amino-6-(nitrosomethyl)oxane-3,4,5-triol

C6H12N2O5 — CID 143285152

IUPAC2-amino-6-(nitrosomethyl)oxane-3,4,5-triol
SMILESNC1OC(CN=O)C(O)C(O)C1O
InChIInChI=1S/C6H12N2O5/c7-6-5(11)4(10)3(9)2(13-6)1-8-12/h2-6,9-11H,1,7H2
InChIKeyPSQPIROEYHQZKZ-UHFFFAOYSA-N
MW192.17 g/mol
LogP-2.48
Rot. Bonds2

About 2-amino-6-(nitrosomethyl)oxane-3,4,5-triol

2-amino-6-(nitrosomethyl)oxane-3,4,5-triol (PubChem CID 143285152) has the molecular formula C6H12N2O5 and a molecular weight of 192.17 g/mol. Its IUPAC name is 2-amino-6-(nitrosomethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-amino-6-(nitrosomethyl)oxane-3,4,5-triol
PubChem CID143285152
Molecular FormulaC6H12N2O5
Molecular Weight192.17 g/mol
Exact Mass192.07
IUPAC Name2-amino-6-(nitrosomethyl)oxane-3,4,5-triol
SMILESNC1OC(CN=O)C(O)C(O)C1O
InChIInChI=1S/C6H12N2O5/c7-6-5(11)4(10)3(9)2(13-6)1-8-12/h2-6,9-11H,1,7H2
InChIKeyPSQPIROEYHQZKZ-UHFFFAOYSA-N
XLogP-2.48
TPSA125.37 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-2.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(4S,5S)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 174104618
(2R,3R,4S,5R,6R)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11095207
(2S,5R)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59101286
(2S,3R,5R)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 155653214
(2R,3S,4R,5R,6S)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 94005021
(3R,4S,5R,6R)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11665493
2,5-diamino-6-(hydroxymethyl)oxane-3,4-diol
CID 176999192
(2S,3R,4S,5R,6S)-6-aminooxane-2,3,4,5-tetrol
CID 134274851
(2S,3R,4S,5S,6R)-2-amino-6-methyloxane-3,4,5-triol
CID 70182320
2-amino-6-methyloxane-3,4,5-triol
CID 4218932
acetic acid;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-amino-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 131712763
[6-[2-(acetyloxymethyl)-6-amino-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
CID 123246097

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(nitrosomethyl)oxane-3,4,5-triol?
The IUPAC name of 2-amino-6-(nitrosomethyl)oxane-3,4,5-triol (CID 143285152) is 2-amino-6-(nitrosomethyl)oxane-3,4,5-triol.
What is the SMILES notation for 2-amino-6-(nitrosomethyl)oxane-3,4,5-triol?
The canonical SMILES for 2-amino-6-(nitrosomethyl)oxane-3,4,5-triol is NC1OC(CN=O)C(O)C(O)C1O.
What is the InChIKey of 2-amino-6-(nitrosomethyl)oxane-3,4,5-triol?
The InChIKey is PSQPIROEYHQZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O5/c7-6-5(11)4(10)3(9)2(13-6)1-8-12/h2-6,9-11H,1,7H2.
What are the key properties of 2-amino-6-(nitrosomethyl)oxane-3,4,5-triol?
2-amino-6-(nitrosomethyl)oxane-3,4,5-triol has a molecular weight of 192.17 g/mol, XLogP of -2.48, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(nitrosomethyl)oxane-3,4,5-triol is sourced from PubChem (CID 143285152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).