6-methyl-4-nitrosooxane-2,3,5-triol

C6H11NO5 — CID 163957817

IUPAC6-methyl-4-nitrosooxane-2,3,5-triol
SMILESCC1OC(O)C(O)C(N=O)C1O
InChIInChI=1S/C6H11NO5/c1-2-4(8)3(7-11)5(9)6(10)12-2/h2-6,8-10H,1H3
InChIKeySEXZQUJDRZBKTG-UHFFFAOYSA-N
MW177.16 g/mol
LogP-1.42
Rot. Bonds1

About 6-methyl-4-nitrosooxane-2,3,5-triol

6-methyl-4-nitrosooxane-2,3,5-triol (PubChem CID 163957817) has the molecular formula C6H11NO5 and a molecular weight of 177.16 g/mol. Its IUPAC name is 6-methyl-4-nitrosooxane-2,3,5-triol.

Molecular Properties

Compound Name6-methyl-4-nitrosooxane-2,3,5-triol
PubChem CID163957817
Molecular FormulaC6H11NO5
Molecular Weight177.16 g/mol
Exact Mass177.06
IUPAC Name6-methyl-4-nitrosooxane-2,3,5-triol
SMILESCC1OC(O)C(O)C(N=O)C1O
InChIInChI=1S/C6H11NO5/c1-2-4(8)3(7-11)5(9)6(10)12-2/h2-6,8-10H,1H3
InChIKeySEXZQUJDRZBKTG-UHFFFAOYSA-N
XLogP-1.42
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3R)-5-methyl-4-nitrosooxolane-2,3-diol
CID 139470569
2-(hydroxymethyl)-6-methyl-4-nitrosooxane-3,5-diol
CID 89010600
(3R)-5-methyloxolane-2,3,4-triol
CID 59335588
6-(hydroxymethyl)-4-nitrosooxane-2,3,5-triol
CID 89164102
(3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 101369112
(2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol;(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol
CID 129314639
CID 171369816
CID 171369816
(3S,4R,5R)-6-methyloxane-2,3,4,5-tetrol
CID 59897521
(3R,4R,5R,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 90472741
(3R,4R,5R,6R)-6-methyloxane-2,3,4,5-tetrol;hydrate
CID 135391148
6-methyl-1,3-dioxane-2,4,5-triol
CID 163702397
2-[(2R,3S,4S,5S,6S)-2,4,5-trihydroxy-6-methyloxan-3-yl]guanidine
CID 156615959

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-nitrosooxane-2,3,5-triol?
The IUPAC name of 6-methyl-4-nitrosooxane-2,3,5-triol (CID 163957817) is 6-methyl-4-nitrosooxane-2,3,5-triol.
What is the SMILES notation for 6-methyl-4-nitrosooxane-2,3,5-triol?
The canonical SMILES for 6-methyl-4-nitrosooxane-2,3,5-triol is CC1OC(O)C(O)C(N=O)C1O.
What is the InChIKey of 6-methyl-4-nitrosooxane-2,3,5-triol?
The InChIKey is SEXZQUJDRZBKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO5/c1-2-4(8)3(7-11)5(9)6(10)12-2/h2-6,8-10H,1H3.
What are the key properties of 6-methyl-4-nitrosooxane-2,3,5-triol?
6-methyl-4-nitrosooxane-2,3,5-triol has a molecular weight of 177.16 g/mol, XLogP of -1.42, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-nitrosooxane-2,3,5-triol is sourced from PubChem (CID 163957817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).