2-(hydroxymethyl)-6-methyl-4-nitrosooxane-3,5-diol

C7H13NO5 — CID 89010600

IUPAC2-(hydroxymethyl)-6-methyl-4-nitrosooxane-3,5-diol
SMILESCC1OC(CO)C(O)C(N=O)C1O
InChIInChI=1S/C7H13NO5/c1-3-6(10)5(8-12)7(11)4(2-9)13-3/h3-7,9-11H,2H2,1H3
InChIKeyKYLHDXSGVUTQCL-UHFFFAOYSA-N
MW191.18 g/mol
LogP-1.38
Rot. Bonds2

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

2-(hydroxymethyl)-6-methyl-4-nitrosooxane-3,5-diol (PubChem CID 89010600) has the molecular formula C7H13NO5 and a molecular weight of 191.18 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-methyl-4-nitrosooxane-3,5-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-methyl-4-nitrosooxane-3,5-diol
PubChem CID89010600
Molecular FormulaC7H13NO5
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name2-(hydroxymethyl)-6-methyl-4-nitrosooxane-3,5-diol
SMILESCC1OC(CO)C(O)C(N=O)C1O
InChIInChI=1S/C7H13NO5/c1-3-6(10)5(8-12)7(11)4(2-9)13-3/h3-7,9-11H,2H2,1H3
InChIKeyKYLHDXSGVUTQCL-UHFFFAOYSA-N
XLogP-1.38
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(hydroxymethyl)-4-nitrosooxane-2,3,5-triol
CID 89164102
6-methyl-4-nitrosooxane-2,3,5-triol
CID 163957817
(3S,4R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59039787
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59795634
(3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 146299921
(2R,4R,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 157377669
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 118332787
(4R,5R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 143617458
(3R,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 67472419
(3R,4S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 89126966
(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 59116084
actinium;(3R,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 59934625

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-methyl-4-nitrosooxane-3,5-diol?
The IUPAC name of 2-(hydroxymethyl)-6-methyl-4-nitrosooxane-3,5-diol (CID 89010600) is 2-(hydroxymethyl)-6-methyl-4-nitrosooxane-3,5-diol.
What is the SMILES notation for 2-(hydroxymethyl)-6-methyl-4-nitrosooxane-3,5-diol?
The canonical SMILES for 2-(hydroxymethyl)-6-methyl-4-nitrosooxane-3,5-diol is CC1OC(CO)C(O)C(N=O)C1O.
What is the InChIKey of 2-(hydroxymethyl)-6-methyl-4-nitrosooxane-3,5-diol?
The InChIKey is KYLHDXSGVUTQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO5/c1-3-6(10)5(8-12)7(11)4(2-9)13-3/h3-7,9-11H,2H2,1H3.
What are the key properties of 2-(hydroxymethyl)-6-methyl-4-nitrosooxane-3,5-diol?
2-(hydroxymethyl)-6-methyl-4-nitrosooxane-3,5-diol has a molecular weight of 191.18 g/mol, XLogP of -1.38, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-methyl-4-nitrosooxane-3,5-diol is sourced from PubChem (CID 89010600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).