2-(hydroxymethyl)-6-nitrosooxane-3,4,5-triol

C6H11NO6 — CID 154521767

IUPAC2-(hydroxymethyl)-6-nitrosooxane-3,4,5-triol
SMILESO=NC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C6H11NO6/c8-1-2-3(9)4(10)5(11)6(7-12)13-2/h2-6,8-11H,1H2
InChIKeyQRSKUCGIGLGQNT-UHFFFAOYSA-N
MW193.16 g/mol
LogP-2.45
Rot. Bonds2

About 2-(hydroxymethyl)-6-nitrosooxane-3,4,5-triol

2-(hydroxymethyl)-6-nitrosooxane-3,4,5-triol (PubChem CID 154521767) has the molecular formula C6H11NO6 and a molecular weight of 193.16 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-nitrosooxane-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-nitrosooxane-3,4,5-triol
PubChem CID154521767
Molecular FormulaC6H11NO6
Molecular Weight193.16 g/mol
Exact Mass193.06
IUPAC Name2-(hydroxymethyl)-6-nitrosooxane-3,4,5-triol
SMILESO=NC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C6H11NO6/c8-1-2-3(9)4(10)5(11)6(7-12)13-2/h2-6,8-11H,1H2
InChIKeyQRSKUCGIGLGQNT-UHFFFAOYSA-N
XLogP-2.45
TPSA119.58 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 5-2.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-(hydroxymethyl)-6-nitrosooxane-3,4,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R,4R,5R,6R)-2-azido-6-(hydroxymethyl)oxane-3,4,5-triol
CID 124746214
(2R,3R,5R,6R)-2-azido-6-(hydroxymethyl)oxane-3,4,5-triol
CID 140539179
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
(2R,3S,4S,5S)-2-(hydroxymethyl)-6-isothiocyanatooxane-3,4,5-triol
CID 87637192
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362
(2S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 156615593
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-nitrosooxane-3,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)-6-nitrosooxane-3,4,5-triol (CID 154521767) is 2-(hydroxymethyl)-6-nitrosooxane-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-6-nitrosooxane-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-6-nitrosooxane-3,4,5-triol is O=NC1OC(CO)C(O)C(O)C1O.
What is the InChIKey of 2-(hydroxymethyl)-6-nitrosooxane-3,4,5-triol?
The InChIKey is QRSKUCGIGLGQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO6/c8-1-2-3(9)4(10)5(11)6(7-12)13-2/h2-6,8-11H,1H2.
What are the key properties of 2-(hydroxymethyl)-6-nitrosooxane-3,4,5-triol?
2-(hydroxymethyl)-6-nitrosooxane-3,4,5-triol has a molecular weight of 193.16 g/mol, XLogP of -2.45, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-nitrosooxane-3,4,5-triol is sourced from PubChem (CID 154521767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).